Scientific name	Authority	First published in
Noachia macrophylla	Bronner	Wilden Trauben Rheinthales : 18 (1857)
Vitis laxiflora	A.Sav.	Compt. Rend. Assoc. Franç. Avancem. Sci. 11: 436 (1882 publ. 1883)
Vitis laciniosa	L.	Sp. Pl. : 203 (1753)
Vitis mensarum	Poit.	Pomol. Franç. 3: ? (1873)
Vitis guilelmi	Poit. & Turpin	Pomol. Franç. 3: t. 345 (1874)
Vitis praecox	Poit. & Turpin	Pomol. Franç. 3: ? (1874)
Vitis moschata	Poit. & Turpin	Pomol. Franç. 3: t. 130 (1874)
Vitis apyrena	hort. ex Roem. & Schult.	Syst. Veg., ed. 15 bis 5: 300 (1819)
Vitis apiana	Raf.	Med. Fl. 2: 140 (1830)
Vitis corinthiaca	Raf.	Med. Fl. 2: 141 (1830)
Vitis cylindrica	Raf.	Med. Fl. 2: 141 (1830)
Vitis densiflora	A.Sav.	Compt. Rend. Assoc. Franç. Avancem. Sci. 11: 436 (1882 publ. 1883)
Vitis tinctoria	Poit. & Turpin	Pomol. Franç. 3: t. 150 (1874)
Vitis succinea	Raf.	Med. Fl. 2: 140 (1830)
Vitis sylvestris	C.C.Gmel.	Fl. Bad. 1: 543. 1805 [ Apr-May 1805]
Vitis turbinata	Raf.	Med. Fl. 2: 140 (1830)
Vitis saccharina	Raf.	Med. Fl. 2: 140 (1830)
Vitis sinuosa	Bosc	Agricultura (Bogota) 1: 326 (1818)
Vitis usunachmatica	Vassilcz.	Novosti Sist. Vyssh. Rast. 20: 133 (1983)
Vitis hyrcanica	Vassilcz.	Novosti Sist. Vyssh. Rast. 20: 135 (1983)
Vitis bosturgaiensis	Vassilcz.	Novosti Sist. Vyssh. Rast. 20: 135 (1983)
Vitis cebennensis	Jord.	Icon. Fl. Eur. 3: 41 (1904)
Zaehringia nobilis	Bronner	Wilden Trauben Rheinthales : 16 (1857)
Maerklinia viridis	Bronner	Wilden Trauben Rheinthales : 13 (1857)
Tyrtamia revoluta	Bronner	Wilden Trauben Rheinthales : 12 (1857)
Thalesia rubrivenia	Bronner	Wilden Trauben Rheinthales 19. 1857
Palatina sylvestris	Bronner	Wilden Trauben Rheinthales : 14 (1857)
Palatina tilicefolia	Bronner	Wilden Trauben Rheinthales : 14 (1857)
Palatina wisilocensis	Bronner	Wilden Trauben Rheinthales : 14 (1857)
Palatina oblonga	Bronner	Wilden Trauben Rheinthales : 13 (1857)
Palatina sinuata	Bronner	Wilden Trauben Rheinthales : 15 (1857)
Palatina septemloba	Bronner	Wilden Trauben Rheinthales : 14 (1857)
Palatina dichotoma	Bronner	Wilden Trauben Rheinthales : 13 (1857)
Palatina dissecta	Bronner	Wilden Trauben Rheinthales : 15 (1857)
Palatina macrocarpa	Bronner	Wilden Trauben Rheinthales : 15 (1857)
Schamsia ligustrica	Bronner	Wilden Trauben Rheinthales : 18 (1857)
Sickleria brevicirrhata	Bronner	Wilden Trauben Rheinthales : 16 (1857)
Cissus vinifera	Kuntze	Um die Erde : 501 (1881)
Vitis vinifera subsp. sylvestris	(Willd.) Hegi	Ill. Fl. Mitt.-Eur. 5: 364 (1925)
Vitis vinifera subsp. sativa	Hegi	Ill. Fl. Mitt.-Eur. 5: 365 1925
Vitis gmelinii	Buttler	Ber. Bot. Arbeitsgem. Südwestdeutschl. 8: 34 (2017)

Common names Top

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Filter by language:

Language	Common/alternative name
English	wine grape
English	wild grape
English	common grape vine
English	grape-vine
English	eso tilin
Spanish	pampano
Spanish	pámpano
Spanish	merceguera
Spanish	meseguera
Spanish	orquillas
Spanish	pampana
Spanish	pámpana
Spanish	pampanas
Spanish	pámpanas
Spanish	pampanos
Spanish	pámpanos
Spanish	pamparas
Spanish	pámparas
Spanish	parra bravia
Spanish	parra bravía
Spanish	parra cultivada
Spanish	parra de uvas
Spanish	parrena
Spanish	parreña
Spanish	parriza
Spanish	parrucha
Spanish	tronchos
Spanish	uvillas
Spanish	valencin duro
Spanish	valencín duro
Spanish	valencin tierno
Spanish	valencín tierno
Spanish	vid comun
Spanish	vid común
Spanish	vid cultivada
Spanish	vid silvestre
Spanish	vidueno
Spanish	vidueño
Spanish	viduno
Spanish	viduño
Spanish	vina roja
Spanish	viña roja
Arabic	كرمة نبيذية
Arabic	كرم
Arabic	زبيب
Arabic	عنب
Arabic	دوالي
Arabic	أدماع الكرمة
Arabic	حصرم
Arabic	دالية
Arabic	دبس عنب
Arabic	دموع الدالية
Arabic	زيت بذرة العنب
Arabic	عصير عنب
Arabic	عناقيد حامضة
Arabic	عنب أبيض
Arabic	عنب عاجي
Arabic	عنب مجفف
Arabic	ورق الدوالي
Arabic	أنبالس
Azerbaijani	tənək
Azerbaijani	mədəni üzüm
azb	مدنی اۆزوم
Belarusian	Вінаград культурны
Bulgarian	европейска винена лоза
Bosnian	vinova loza
Czech	réva vinná
Czech	vinná réva
Czech	evropská réva
Czech	hroznové víno
Czech	ušlechtilá réva
Danish	vinstok
Danish	almindelig vin
German	echte weinrebe
German	weinrebe
Greek	Αμπελώνας
Estonian	viinapuu
Persian	ریشبابا
Finnish	aitoviiniköynnös
Finnish	aitoviini
Finnish	viiniköynnös
French	lambrusque
French	vigne sauvage
French	cépage
French	vigne américaine
French	vigne cultivée
French	vigne européenne
French	vigne rouge
frp	vigne
frr	win
Galician	vide
Hebrew	גפן היין
Croatian	vinova loza
Upper Sorbian	winowy prut
Hungarian	bortermő szőlő
Armenian	Խաղող մշակովի
Indonesian	unggur
Italian	vite comune
Italian	vite euroasiatica
Japanese	ヴィティス・ヴィニフェラ
Japanese	ヨーロッパブドウ
Georgian	ევროპული ვაზი
Kazakh	Кәдімгі жүзім
Korean	포도
lb	rief
lb	wäindrauf
lb	wäirief
Lithuanian	tikrasis vynmedis
Latvian	Īstais vīnkoks
Macedonian	Лоза
Norwegian Bokmål	ekte vinranke
Dutch	wijnstok
Norwegian Nynorsk	ekte vinranke
Norwegian Nynorsk	vinranke
oc	vinha
Polish	latorośl winna
Polish	winna latorośl
Polish	winorośl właściwa
Punjab	شراب انگور
Portuguese	uvas viníferas
Quechua	chiqap uwas
Romanian	struguri
Romanian	vita de vie
Romanian	viţă de vie
Romanian	viţa-de-vie
Romanian	viţă-de-vie
Romanian	vița-de-vie
Romanian	viță-de-vie
Romanian	viță de vie
Russian	Виноград виноносный
Russian	Виноград гиссарский
Russian	Виноград европейский
Russian	Виноград обыкновенный
Russian	Виноград узунакматский
Russian	виноград культурный
rup	ayitâ
Serbo-Croatian	vinova loza
Slovak	hrozno
Slovak	réva vínna
Slovak	vinná réva
Slovak	vinič hroznorodý
Slovenian	temeljne vinske sorte v preteklosti
Slovenian	trta
Slovenian	vinska
Slovenian	vinska trta
Albanian	hardhi e rrushit
Serbian	винова лоза
Swedish	vindruvor
Swedish	vinstock
Swedish	vinranka
szl	wino (zielina)
Tamil	திராட்சை
Tonga	kālepi
Ukrainian	виноград культурний
vec	vit
vec	vida
vec	vida comun
vec	vide
vec	vide comun
Walloon	roejhéns
Walloon	troke
Walloon	vegne
Chinese	葡萄藤叶
Chinese	菩提子
Chinese	无核葡萄
Chinese	有核葡萄干
Chinese	林生葡萄
Chinese	琐琐葡萄
Chinese	葡萄
Chinese	葡萄（琐琐葡萄）
Chinese	葡萄干
Chinese	葡萄根
Chinese	山葫芦
Chinese	草龙珠
Chinese	蒲陶
Chinese	赐紫樱桃
Chinese	欧亚葡萄
Chinese	歐洲葡萄
Chinese	酿酒葡萄
Chinese	釀酒葡萄

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

No distribution data was extracted from POWO/KEW yet. We are constantly monitoring for new data.

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000421791
UNII	22E66I250J
Canadensys	9544
USDA Plants	VIVI5
Tropicos	34000217
INPN	129968
Flora of Italy	3080
KEW	urn:lsid:ipni.org:names:30478388-2
The Plant List	kew-2457006
Missouri Botanical Garden	287551
PaleoBotany	25182
Open Tree Of Life	756728
NCBI Taxonomy	29760
NBN Atlas	NBNSYS0000033646
Nature Serve	2.135498
IUCN Red List	63537
IPNI	69138-1
iNaturalist	79519
GBIF	5372392
Freebase	/m/025df4
EPPO	VITVI
EOL	582304
Calflora (Californian flora)	8323
USDA GRIN	41905
Wikipedia	Vitis_vinifera
CMAUP	NPO17024

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.

Accession	Assembly
Accession	Name	Level	Submitter	Released	Coverage	Size
GCF_030704535.1	ASM3070453v1	Complete Genome	Agricultural Genomics Institute at Shenzhen, Chinese Academy of Agricultural Sciences	2023-08-09	40.0x	471.95 Mb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.

Title

Authors

Publication

Released

IDs

Archaeobotanical evidence supports indigenous cucurbit long-term use in the Mesoamerican Neotropics

Domic AI, VanDerwarker AM, Thakar HB, Hirth K, Capriles JM, Harper TK, Scheffler TE, Kistler L, Kennett DJ

Sci Rep

13-May-2024

PMCID:	PMC11091142
doi:	10.1038/s41598-024-60723-1
PMID:	38740801

An integrated multi-omics approach reveals polymethoxylated flavonoid biosynthesis in Citrus reticulata cv. Chachiensis

Wen J, Wang Y, Lu X, Pan H, Jin D, Wen J, Jin C, Sahu SK, Su J, Luo X, Jin X, Zhao J, Wu H, Liu EH, Liu H

Nat Commun

11-May-2024

PMCID:	PMC11088696
doi:	10.1038/s41467-024-48235-y
PMID:	38734724

Integrated multi-omic approach reveals the effect of a Graminaceae-derived biostimulant and its lighter fraction on salt-stressed lettuce plants

Monterisi S, Zhang L, Garcia-Perez P, Alzate Zuluaga MY, Ciriello M, El-Nakhel C, Buffagni V, Cardarelli M, Colla G, Rouphael Y, Cesco S, Lucini L, Pii Y

Sci Rep

10-May-2024

PMCID:	PMC11087557
doi:	10.1038/s41598-024-61576-4
PMID:	38729985

Molecular evolution of Phytocyanin gene and analysis of expression at different coloring periods in apple (Malus domestica)

Shao M, Feng Y, Yang S, Feng T, Zeng F, Lu S, Ma Z, Chen B, Mao J

BMC Plant Biol

08-May-2024

PMCID:	PMC11077699
doi:	10.1186/s12870-024-05069-6
PMID:	38714922

A high-affinity potassium transporter (MeHKT1) from cassava (Manihot esculenta) negatively regulates the response of transgenic Arabidopsis to salt stress

Luo M, Chu J, Wang Y, Chang J, Zhou Y, Jiang X

BMC Plant Biol

07-May-2024

PMCID:	PMC11075273
doi:	10.1186/s12870-024-05084-7
PMID:	38714917

Improving grape fruit quality through soil conditioner: Insights from RNA-seq analysis of Cabernet Sauvignon roots

Jiang P, Wang X, Wang R

Open Life Sci

07-May-2024

PMCID:	PMC11087741
doi:	10.1515/biol-2022-0864
PMID:	38737104

A high-quality chromosome-scale genome assembly of blood orange, an important pigmented sweet orange variety

Yang L, Deng H, Wang M, Li S, Wang W, Yang H, Pang C, Zhong Q, Sun Y, Hong L

Sci Data

06-May-2024

PMCID:	PMC11074139
doi:	10.1038/s41597-024-03313-0
PMID:	38710725

Shading Treatment Reduces Grape Sugar Content by Suppressing Photosynthesis-Antenna Protein Pathway Gene Expression in Grape Berries

Nan X, Li W, Shao M, Cui Z, Wang H, Huo J, Chen L, Chen B, Ma Z

Int J Mol Sci

05-May-2024

PMCID:	PMC11084848
doi:	10.3390/ijms25095029
PMID:	38732247

A modified CTAB method for the extraction of high-quality RNA from mono-and dicotyledonous plants rich in secondary metabolites

Kiss T, Karácsony Z, Gomba-Tóth A, Szabadi KL, Spitzmüller Z, Hegyi-Kaló J, Cels T, Otto M, Golen R, Hegyi ÁI, Geml J, Váczy KZ

Plant Methods

04-May-2024

PMCID:	PMC11069240
doi:	10.1186/s13007-024-01198-z
PMID:	38704591

Application of Developmental Regulators for Enhancing Plant Regeneration and Genetic Transformation

Xu P, Zhong Y, Xu A, Liu B, Zhang Y, Zhao A, Yang X, Ming M, Cao F, Fu F

Plants (Basel)

04-May-2024

PMCID:	PMC11085514
doi:	10.3390/plants13091272
PMID:	38732487

Strategies, Achievements, and Potential Challenges of Plant and Microbial Chassis in the Biosynthesis of Plant Secondary Metabolites

Han T, Miao G

Molecules

02-May-2024

PMCID:	PMC11085123
doi:	10.3390/molecules29092106
PMID:	38731602

Copper-based grape pest management has impacted wine aroma

De Guidi I, Galeote V, Blondin B, Legras JL

Sci Rep

02-May-2024

PMCID:	PMC11066116
doi:	10.1038/s41598-024-60335-9
PMID:	38698114

Validation of a simplified small-scale DNA extraction protocol from wine by quantitative real-time PCR

Scali M, Spinsanti G, Vignani R

3 Biotech

02-May-2024

PMCID:	PMC11065827
doi:	10.1007/s13205-024-03992-x
PMID:	38706928

Genome-wide prediction and functional analysis of WOX genes in blueberry

Wang Y, Yang L, Geng W, Cheng R, Zhang H, Zhou H

BMC Genomics

02-May-2024

PMCID:	PMC11064388
doi:	10.1186/s12864-024-10356-5
PMID:	38693497

Unleashing the promise of emerging nanomaterials as a sustainable platform to mitigate antimicrobial resistance

Rahman S, Sadaf S, Hoque ME, Mishra A, Mubarak NM, Malafaia G, Singh J

RSC Adv

01-May-2024

PMCID:	PMC11062400
doi:	10.1039/d3ra05816f
PMID:	38694553

Phytochemical Profile Top

Add a new one!

Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Alkaloids and derivatives / Lupin alkaloids / Sparteine, lupanine, and related alkaloids
Lupanine	91471	Click to see C1CCN2CC3CC(C2C1)CN4C3CCCC4=O	248.36	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Anthracenes / Anthracenecarboxylic acids and derivatives / Anthracenecarboxylic acids
scutianthraquinone C	44592159	Click to see CC1=C2C(=CC(=C1C(=O)OC)O)C(=O)C3=C(C2=O)C(=C(C=C3)C4(C5=C(C(=CC=C5)O)C(=O)C6=C(C(=C(C=C64)O)C(=O)OC)C)O)O	624.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
Emodin	3220	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O	270.24	unknown	https://doi.org/10.1016/S0278-6915(99)00027-7
> Benzenoids / Benzene and substituted derivatives
2-(1-Phenylethyl)-1,3-dioxolane	97785	Click to see CC(C1OCCO1)C2=CC=CC=C2	178.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Phenethyl acetate	7654	Click to see CC(=O)OCCC1=CC=CC=C1	164.20	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Phenethyl isobutyrate	7655	Click to see CC(C)C(=O)OCCC1=CC=CC=C1	192.25	unknown	via CMAUP database
Phenylacetic Acid	999	Click to see C1=CC=C(C=C1)CC(=O)O	136.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Phenylethyl Alcohol	6054	Click to see C1=CC=C(C=C1)CCO	122.16	unknown	https://doi.org/10.1016/0031-9422(83)80040-5 https://doi.org/10.1016/0031-9422(86)80032-2 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
Trimethylbenzene	10686	Click to see CC1=C(C(=CC=C1)C)C	120.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Dibutyl Phthalate	3026	Click to see CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC	278.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Isobutyl benzoate	61048	Click to see CC(C)COC(=O)C1=CC=CC=C1	178.23	unknown	via CMAUP database
Methyl benzoate	7150	Click to see COC(=O)C1=CC=CC=C1	136.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
Benzoic Acid	243	Click to see C1=CC=C(C=C1)C(=O)O	122.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Phthalic acid	1017	Click to see C1=CC=C(C(=C1)C(=O)O)C(=O)O	166.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Halobenzoic acids and derivatives / 2-halobenzoic acids and derivatives
2,6-Dichlorobenzamide	16183	Click to see C1=CC(=C(C(=C1)Cl)C(=O)N)Cl	190.02	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
2,5-Dihydroxybenzoic acid	3469	Click to see C1=CC(=C(C=C1O)C(=O)O)O	154.12	unknown	https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1021/JF9601628
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1016/S0031-9422(98)00107-1 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1365/S10337-005-0622-8 https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1021/JF9601628 https://doi.org/10.1021/JF9912506
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1365/S10337-005-0622-8 https://doi.org/10.1080/0957126032000114982 https://doi.org/10.1002/JSSC.200500003
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Methyl 4-hydroxy-3,5-dimethoxybenzoate	70164	Click to see COC1=CC(=CC(=C1O)OC)C(=O)OC	212.20	unknown	https://doi.org/10.1016/0031-9422(90)85331-9
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1080/0957126032000114982 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1021/JF9601628 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1021/JF9912506 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1365/S10337-005-0622-8
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid	370	Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O	170.12	unknown	https://doi.org/10.1021/JF0009347 https://doi.org/10.1016/S0031-9422(00)94532-1 https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1021/JF990019P https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1021/JF00052A008 https://doi.org/10.1081/JLC-120008754 https://doi.org/10.1007/S002170000265 https://doi.org/10.1021/JF9909757 https://doi.org/10.1021/JF025832Q https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/S0031-9422(98)00107-1 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1080/13102818.2006.10817302 https://doi.org/10.1021/JF00022A013 https://doi.org/10.1016/0021-9673(96)00169-0 https://doi.org/10.1021/JF000670O https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1080/0957126032000114982 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1016/S0021-9673(01)00913-X https://doi.org/10.1021/JF9912506 https://doi.org/10.1021/JF9601628 https://doi.org/10.1093/CARCIN/BGI347 https://doi.org/10.1016/S0021-9673(99)00569-5 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1021/JF990665O
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
Ethyl gallate	13250	Click to see CCOC(=O)C1=CC(=C(C(=C1)O)O)O	198.17	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007
Methyl gallate	7428	Click to see COC(=O)C1=CC(=C(C(=C1)O)O)O	184.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/JF9912506 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid	8468	Click to see COC1=C(C=CC(=C1)C(=O)O)O	168.15	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1365/S10337-005-0622-8 https://doi.org/10.1080/0957126032000114982 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1021/JF9601628 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
3-Hydroxy-4-methoxybenzoic acid	12575	Click to see COC1=C(C=C(C=C1)C(=O)O)O	168.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
2,3-Dihydroxybenzoic acid	19	Click to see C1=CC(=C(C(=C1)O)O)C(=O)O	154.12	unknown	https://doi.org/10.1080/0957126032000114982
Salicylic Acid	338	Click to see C1=CC=C(C(=C1)C(=O)O)O	138.12	unknown	https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1365/S10337-005-0622-8
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
4-Methylbenzaldehyde	7725	Click to see CC1=CC=C(C=C1)C=O	120.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Benzaldehyde	240	Click to see C1=CC=C(C=C1)C=O	106.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Benzoylformic acid	11915	Click to see C1=CC=C(C=C1)C(=O)C(=O)O	150.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
4-Methylbenzyl alcohol	11505	Click to see CC1=CC=C(C=C1)CO	122.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	https://doi.org/10.1016/0031-9422(86)80032-2 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Benzylethers
Dibenzyl ether	7657	Click to see C1=CC=C(C=C1)COCC2=CC=CC=C2	198.26	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
Benzyl acetate	8785	Click to see CC(=O)OCC1=CC=CC=C1	150.17	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Diphenylethers
Diphenyl ether	7583	Click to see C1=CC=C(C=C1)OC2=CC=CC=C2	170.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Benzene and substituted derivatives / Halobenzenes / Chlorobenzenes / Dichlorobenzenes
1,2-Dichlorobenzene	7239	Click to see C1=CC=C(C(=C1)Cl)Cl	147.00	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenethylamines
Phenethylamine	1001	Click to see C1=CC=C(C=C1)CCN	121.18	unknown	https://doi.org/10.1021/JF00107A012 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Tyramine	5610	Click to see C1=CC(=CC=C1CCN)O	137.18	unknown	https://doi.org/10.1111/J.1365-2621.2000.TB10254.X
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
Phenylacetaldehyde	998	Click to see C1=CC=C(C=C1)CC=O	120.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
2-(4-Methylphenyl)propan-2-ol	14529	Click to see CC1=CC=C(C=C1)C(C)(C)O	150.22	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
2,4-Di-tert-butylphenol	7311	Click to see CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C	206.32	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3-Phenyldecane	20740	Click to see CCCCCCCC(CC)C1=CC=CC=C1	218.38	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Fluorenes
9-Fluorenone	10241	Click to see C1=CC=C2C(=C1)C3=CC=CC=C3C2=O	180.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Indanes
(4bR,5R,10R)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol	9890174	Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O	454.50	unknown	via CMAUP database
(4bS,5R,9bS,10R)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol	154497152	Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O	454.50	unknown	https://doi.org/10.1021/NP000426R
(4bS,5S,9bS,10S)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol	101801696	Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O	454.50	unknown	https://doi.org/10.1021/JF200771Y
5,10-Bis-(4-hydroxy-phenyl)-4b,5,9b,10-tetrahydro-indeno[2,1-a]indene-1,3,6,8-tetraol	57518717	Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O	454.50	unknown	https://doi.org/10.1021/JF200771Y https://doi.org/10.1021/NP000426R
Pallidol	484757	Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O	454.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/NP000426R https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1016/0040-4039(96)00909-4 https://doi.org/10.1016/S0003-2670(01)01498-2
> Benzenoids / Naphthalenes
1-Methylnaphthalene	7002	Click to see CC1=CC=CC2=CC=CC=C12	142.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
1,1,6-Trimethyl-1,2-dihydronaphthalene	121677	Click to see CC1=CC2=C(C=C1)C(CC=C2)(C)C	172.27	unknown	https://doi.org/10.1071/CH9892071
> Benzenoids / Naphthalenes / Naphthalene sulfonic acids and derivatives / Naphthalene sulfonates / 2-naphthalene sulfonates
7-Amino-4-hydroxy-2-naphthalenesulfonic acid	6868	Click to see C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)O)O	239.25	unknown	via CMAUP database
> Benzenoids / Phenanthrenes and derivatives
Phenanthrene	995	Click to see C1=CC=C2C(=C1)C=CC3=CC=CC=C32	178.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
4-(4-Hydroxyphenyl)-2-butanone	21648	Click to see CC(=O)CCC1=CC=C(C=C1)O	164.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
4-Hydroxyphenylacetic acid	127	Click to see C1=CC(=CC=C1CC(=O)O)O	152.15	unknown	https://doi.org/10.1002/JSSC.200500003
4-Octylphenol	15730	Click to see CCCCCCCCC1=CC=C(C=C1)O	206.32	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Phenol	996	Click to see C1=CC=C(C=C1)O	94.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Phenols / Benzenediols / Catechols
Catechol	289	Click to see C1=CC=C(C(=C1)O)O	110.11	unknown	https://doi.org/10.1080/13102818.2006.10817302
Catechol,[14c(u)]	11480435	Click to see C1=CC=C(C(=C1)O)O	122.07	unknown	via CMAUP database
> Benzenoids / Phenols / Benzenediols / Resorcinols
Orcinol	10436	Click to see CC1=CC(=CC(=C1)O)O	124.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Phenols / Cresols / Ortho cresols
o-Cresol	335	Click to see CC1=CC=CC=C1O	108.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Phenols / Cresols / Para cresols
P-Cresol	2879	Click to see CC1=CC=C(C=C1)O	108.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Phenols / Methoxyphenols
2-Methoxy-4-vinylphenol	332	Click to see COC1=C(C=CC(=C1)C=C)O	150.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
2,6-Dimethoxyphenol	7041	Click to see COC1=C(C(=CC=C1)OC)O	154.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3,4,5-Trimethoxyphenol	69505	Click to see COC1=CC(=CC(=C1OC)OC)O	184.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
5-Ethenyl-2-methoxyphenol	10441857	Click to see COC1=C(C=C(C=C1)C=C)O	150.17	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
Coniferyl Alcohol	1549095	Click to see COC1=C(C=CC(=C1)C=CCO)O	180.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Eugenol	3314	Click to see COC1=C(C=CC(=C1)CC=C)O	164.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Guaiacol	460	Click to see COC1=CC=CC=C1O	124.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Syringaldehyde	8655	Click to see COC1=CC(=CC(=C1O)OC)C=O	182.17	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2
Vanillin	1183	Click to see COC1=C(C=CC(=C1)C=O)O	152.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1002/JSSC.200500003
> Benzenoids / Phenols / Nitrophenols
4-Nitrophenol	980	Click to see C1=CC(=CC=C1[N+](=O)[O-])O	139.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
Hydroxytyrosol	82755	Click to see C1=CC(=C(C=C1CCO)O)O	154.16	unknown	https://doi.org/10.1016/S0308-8146(02)00590-3
Tyrosol	10393	Click to see C1=CC(=CC=C1CCO)O	138.16	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1021/JF9601628 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Docosane	12405	Click to see CCCCCCCCCCCCCCCCCCCCCC	310.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Dodecane	8182	Click to see CCCCCCCCCCCC	170.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Eicosane	8222	Click to see CCCCCCCCCCCCCCCCCCCC	282.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Heneicosane	12403	Click to see CCCCCCCCCCCCCCCCCCCCC	296.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Heptadecane	12398	Click to see CCCCCCCCCCCCCCCCC	240.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Hexadecane	11006	Click to see CCCCCCCCCCCCCCCC	226.44	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Nonadecane	12401	Click to see CCCCCCCCCCCCCCCCCCC	268.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Octadecane	11635	Click to see CCCCCCCCCCCCCCCCCC	254.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Pentadecane	12391	Click to see CCCCCCCCCCCCCCC	212.41	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Tetradecane	12389	Click to see CCCCCCCCCCCCCC	198.39	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Tricosane	12534	Click to see CCCCCCCCCCCCCCCCCCCCCCC	324.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Tridecane	12388	Click to see CCCCCCCCCCCCC	184.36	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
2,3,5,8-Tetramethyldecane	545611	Click to see CCC(C)CCC(C)CC(C)C(C)C	198.39	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Hydrocarbons / Saturated hydrocarbons / Cycloalkanes
Cyclotetradecane	67524	Click to see C1CCCCCCCCCCCCC1	196.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
gamma-Terpinene	7461	Click to see CC1=CCC(=CC1)C(C)C	136.23	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkadienes
1,6-Pentadecadiene	12543730	Click to see CCCCCCCCC=CCCCC=C	208.38	unknown	https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1002/JSFA.1885 https://doi.org/10.1080/09571260120095030 https://doi.org/10.21548/25-2-2143
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
(Z,Z)-Heptadeca-1,8,11-triene	5352709	Click to see CCCCCC=CCC=CCCCCCC=C	234.40	unknown	https://doi.org/10.1021/JF0346612 https://doi.org/10.1016/J.JFCA.2004.02.010 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030 https://doi.org/10.1021/JF030278L
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Azulenes
Azulene	9231	Click to see C1=CC=C2C=CC=C2C=C1	128.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Decene	13381	Click to see CCCCCCCCC=C	140.27	unknown	via CMAUP database
1-Undecene	13190	Click to see CCCCCCCCCC=C	154.29	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lignans, neolignans and related compounds / Aryltetralin lignans
(1S,8R,9R,16R)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol	101680650	Click to see C1=CC(=CC=C1C2C3C(C4=C(C2C5=C3C=C(C=C5O)O)C=C(C=C4O)O)C6=CC=C(C=C6)O)O	454.50	unknown	https://doi.org/10.1016/S0040-4020(01)00144-2
> Lignans, neolignans and related compounds / Aryltetralin lignans / 9,9p-dihydroxyaryltetralin lignans
Isolariciresinol, (+)-	160521	Click to see COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O	360.40	unknown	https://doi.org/10.1016/S0308-8146(03)00222-X
> Lignans, neolignans and related compounds / Dibenzylbutane lignans / Dibenzylbutanediol lignans
(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)(113C)methyl](113C)butane-1,4-diol	11646293	Click to see COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O	365.40	unknown	https://doi.org/10.1016/S0308-8146(03)00222-X
Secoisolariciresinol	65373	Click to see COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O	362.40	unknown	https://doi.org/10.1016/S0308-8146(03)00222-X
> Lignans, neolignans and related compounds / Furanoid lignans
Syringaresinol	100067	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC	418.40	unknown	https://doi.org/10.1016/S0308-8146(03)00222-X
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
Lariciresinol	332427	Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O	360.40	unknown	https://doi.org/10.1016/S0308-8146(03)00222-X
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
Arctigenin	64981	Click to see COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC	372.40	unknown	https://doi.org/10.1016/S0308-8146(03)00222-X
Matairesinol	119205	Click to see COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O	358.40	unknown	https://doi.org/10.1016/S0308-8146(03)00222-X
Trachelogenin	452855	Click to see COC1=C(C=C(C=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)OC	388.40	unknown	https://doi.org/10.1016/S0308-8146(03)00222-X
> Lignans, neolignans and related compounds / Stilbenolignans
1,2-Benzenediol, 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]-	5279246	Click to see C1=CC2=C(C=C1C=CC3=CC(=CC(=C3)O)O)OC(C(O2)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O	486.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Diethyl fumarate	638144	Click to see CCOC(=O)C=CC(=O)OCC	172.18	unknown	via CMAUP database
Ethyl 2-methylbutyrate	24020	Click to see CCC(C)C(=O)OCC	130.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Ethyl butyrate	7762	Click to see CCCC(=O)OCC	116.16	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
Ethyl Decanoate	8048	Click to see CCCCCCCCCC(=O)OCC	200.32	unknown	via CMAUP database
Ethyl Dodecanoate	7800	Click to see CCCCCCCCCCCC(=O)OCC	228.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Ethyl heptanoate	7797	Click to see CCCCCCC(=O)OCC	158.24	unknown	via CMAUP database
Ethyl hexanoate	31265	Click to see CCCCCC(=O)OCC	144.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
Ethyl isovalerate	7945	Click to see CCOC(=O)CC(C)C	130.18	unknown	via CMAUP database
Ethyl Nonanoate	31251	Click to see CCCCCCCCC(=O)OCC	186.29	unknown	via CMAUP database
Ethyl palmitate	12366	Click to see CCCCCCCCCCCCCCCC(=O)OCC	284.50	unknown	via CMAUP database
Hexyl butyrate	17525	Click to see CCCCCCOC(=O)CCC	172.26	unknown	via CMAUP database
Hexyl octanoate	14228	Click to see CCCCCCCC(=O)OCCCCCC	228.37	unknown	via CMAUP database
Isoamyl butyrate	7795	Click to see CCCC(=O)OCCC(C)C	158.24	unknown	via CMAUP database
Pentyl butyrate	10890	Click to see CCCCCOC(=O)CCC	158.24	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl 10-undecenoate	8138	Click to see COC(=O)CCCCCCCCC=C	198.30	unknown	via CMAUP database
Methyl Laurate	8139	Click to see CCCCCCCCCCCC(=O)OC	214.34	unknown	via CMAUP database
Methyl Octanoate	8091	Click to see CCCCCCCC(=O)OC	158.24	unknown	via CMAUP database
Methyl palmitate	8181	Click to see CCCCCCCCCCCCCCCC(=O)OC	270.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Methyl undecanoate	15607	Click to see CCCCCCCCCCC(=O)OC	200.32	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
2-Butenoic acid, 2-methyl-	6656	Click to see CC=C(C)C(=O)O	100.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Methylbutanoic acid	8314	Click to see CCC(C)C(=O)O	102.13	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2,2-Dimethylbutyric acid	11684	Click to see CCC(C)(C)C(=O)O	116.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3-Methyl crotonic acid	10931	Click to see CC(=CC(=O)O)C	100.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Isovaleric acid	10430	Click to see CC(C)CC(=O)O	102.13	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
10-Cyclopentyldecanoic acid	54512352	Click to see C1CCC(C1)CCCCCCCCCC(=O)O	240.38	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Ethylhexanoic acid	8697	Click to see CCCCC(CC)C(=O)O	144.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Hexenoic acid, (2E)-	5282707	Click to see CCCC=CC(=O)O	114.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3-Hexenoic acid	5282708	Click to see CCC=CCC(=O)O	114.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
9-Oxononanoic acid	75704	Click to see C(CCCC=O)CCCC(=O)O	172.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Azelaic Acid	2266	Click to see C(CCCC(=O)O)CCCC(=O)O	188.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Caproic Acid	8892	Click to see CCCCCC(=O)O	116.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Heptanoic Acid	8094	Click to see CCCCCCC(=O)O	130.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Lauric Acid	3893	Click to see CCCCCCCCCCCC(=O)O	200.32	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Octanoic Acid	379	Click to see CCCCCCCC(=O)O	144.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
2-Butenoic acid	19499	Click to see CC=CC(=O)O	86.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Butyric Acid	264	Click to see CCCC(=O)O	88.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Valeric acid	7991	Click to see CCCCC(=O)O	102.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(2E)-2-Hexenoic acid beta-D-glucopyranosyl ester	101347691	Click to see CCCC=CC(=O)OC1C(C(C(C(O1)CO)O)O)O	276.28	unknown	via CMAUP database
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxyoxane-3,4,5-triol	162886979	Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)C	448.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(6E)-3,7-dimethyloctadeca-1,6-dien-3-yl]oxyoxane-3,4,5-triol	100983860	Click to see CCCCCCCCCCCC(=CCCC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)C	588.80	unknown	https://doi.org/10.1021/JF00096A016
(4R)-4-hydroxy-3,5,5-trimethyl-4-[(E,3R)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one	133561811	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1016/S0031-9422(00)81745-8
(4S,5S)-3,3,5-trimethyl-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one	162885287	Click to see CC1CC(=O)CC(C1C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	372.50	unknown	https://doi.org/10.1021/JF00033A019
(4S)-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one	15747356	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C	518.60	unknown	https://doi.org/10.1016/0031-9422(96)00235-X
2-[[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,7-dimethylocta-1,6-dien-3-yloxy)oxane-3,4,5-triol	15624184	Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)C	448.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
3,3,5-Trimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one	162885286	Click to see CC1CC(=O)CC(C1C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	372.50	unknown	https://doi.org/10.1021/JF00033A019
4-[3-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one	85447144	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C	518.60	unknown	https://doi.org/10.1016/0031-9422(96)00235-X
4-hydroxy-3,5,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one	6325925	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1016/S0031-9422(00)81745-8
4-Hydroxy-3,5,5-trimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one	73815023	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1016/0031-9422(96)00235-X https://doi.org/10.1016/S0031-9422(00)81745-8
Blumenol C glucoside	14135394	Click to see CC1=CC(=O)CC(C1CCC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	372.50	unknown	https://doi.org/10.1021/JF00033A019
Byzantionoside B	14135395	Click to see CC1=CC(=O)CC(C1CCC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	372.50	unknown	https://doi.org/10.1021/JF00033A019
Linalool-3-Rutinoside	21630850	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)(CCC=C(C)C)C=C)O)O)O)O)O)O	462.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
Roseoside	9930064	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1016/0031-9422(96)00235-X https://doi.org/10.1021/JF00041A004 https://doi.org/10.1016/S0031-9422(00)81745-8
xi-Linalool 3-[rhamnosyl-(1->6)-glucoside]	15624187	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)(CCC=C(C)C)C=C)O)O)O)O)O)O	462.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Citronellyl acetate	9017	Click to see CC(CCC=C(C)C)CCOC(=O)C	198.30	unknown	via CMAUP database
Geranyl acetate	1549026	Click to see CC(=CCCC(=CCOC(=O)C)C)C	196.29	unknown	via CMAUP database
Nonyl Acetate	8918	Click to see CCCCCCCCCOC(=O)C	186.29	unknown	via CMAUP database
Octyl Acetate	8164	Click to see CCCCCCCCOC(=O)C	172.26	unknown	via CMAUP database
Octyl formate	8176	Click to see CCCCCCCCOC=O	158.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol	10856240	Click to see CC(C)(C(CCC(C)(C=C)O)O)O	188.26	unknown	via CMAUP database
(3R)-oct-1-en-3-ol	6992244	Click to see CCCCCC(C=C)O	128.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
1-Hexanol	8103	Click to see CCCCCCO	102.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
1-Octanol	957	Click to see CCCCCCCCO	130.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
1-Triacontanol	68972	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	438.80	unknown	via CMAUP database
1-Undecanol	8184	Click to see CCCCCCCCCCCO	172.31	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Butyl-1-octanol	19800	Click to see CCCCCCC(CCCC)CO	186.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Ethylhexan-1-ol	7720	Click to see CCCCC(CC)CO	130.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Nonanol	12367	Click to see CCCCCCCC(C)O	144.25	unknown	via CMAUP database
2-Octanol	20083	Click to see CCCCCCC(C)O	130.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Undecanol	15448	Click to see CCCCCCCCCC(C)O	172.31	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3-Octanol	11527	Click to see CCCCCC(CC)O	130.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Ethyl 9-hydroxynonanoate	3613654	Click to see CCOC(=O)CCCCCCCCO	202.29	unknown	via CMAUP database
Geraniol hydrate	10953994	Click to see CC(=CCO)CCCC(C)(C)O	172.26	unknown	https://doi.org/10.1016/S0021-9673(01)01150-5
Isotridecanol	33865	Click to see CC(C)CCCCCCCCCCO	200.36	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Nonan-1-ol	8914	Click to see CCCCCCCCCO	144.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
1-Tridecanol	8207	Click to see CCCCCCCCCCCCCO	200.36	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Tetradecanol	20831	Click to see CCCCCCCCCCCCC(C)O	214.39	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Cetyl Alcohol	2682	Click to see CCCCCCCCCCCCCCCCO	242.44	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
Hexacosanal	3084462	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC=O	380.70	unknown	via CMAUP database
Hexadecanal	984	Click to see CCCCCCCCCCCCCCCC=O	240.42	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Octacosanal	3084376	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O	408.70	unknown	via CMAUP database
Triacontanal	3084375	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O	436.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides
Dodecanamide	14256	Click to see CCCCCCCCCCCC(=O)N	199.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Oleamide	5283387	Click to see CCCCCCCCC=CCCCCCCCC(=O)N	281.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Glycerolipids / Triradylcglycerols / Triacylglycerols
[3-hexadecanoyloxy-2-[(2E,4E)-hexa-2,4-dienoyl]oxypropyl] hexadecanoate	6438900	Click to see CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C=CC=CC	663.00	unknown	via CMAUP database
Triacetin	5541	Click to see CC(=O)OCC(COC(=O)C)OC(=O)C	218.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(3R)-5-[(1R,4aS,5R,6S,8aS)-6-acetyloxy-5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid	162873831	Click to see CC1=CCC2C(C1CCC(C)CC(=O)O)(CCC(C2(C)CO)OC(=O)C)C	380.50	unknown	https://doi.org/10.1002/JSFA.1885
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
[(1R,2R,6S,10R,11R,13S,14R,15R)-13-acetyloxy-8-formyl-1-hydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate	162901456	Click to see CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)C=O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC	521.60	unknown	https://doi.org/10.1007/BF00580051
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Villanovane, atisane, trachylobane or helvifulvane diterpenoids / Atisane diterpenoids / Hetisine-type diterpenoid alkaloids
[(1S,5R,8R,9S,10R,11S,13R,14S,16S,17R,18S,19S)-10,13-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-yl] benzoate	101933335	Click to see CC12CC(=O)CC34C1C5CC67C3C(C(C(C6C4N5C2)O)C(=C)C7O)OC(=O)C8=CC=CC=C8	447.50	unknown	https://doi.org/10.1093/CLINCHEM/43.6.1092 https://doi.org/10.1021/JF0002948 https://doi.org/10.1021/JF030278L https://doi.org/10.1021/JF00044A005 https://doi.org/10.1016/S0031-9422(99)00068-0 https://doi.org/10.1016/S0024-3205(97)00883-7
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
beta-CITRONELLOL, (+/-)-	8842	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	https://doi.org/10.1016/0031-9422(86)80032-2
Geranic acid	5275520	Click to see CC(=CCCC(=CC(=O)O)C)C	168.23	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Geraniol	637566	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1016/0031-9422(86)80032-2 https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://doi.org/10.1111/J.1365-2621.1997.TB03978.X https://doi.org/10.1016/S0021-9673(01)01150-5 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Linalool, (-)-	443158	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Linalool, (+/-)-	6549	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://doi.org/10.1016/0031-9422(86)80032-2
Nerol	643820	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1016/0031-9422(86)80032-2
trans-Ocimenol	6430998	Click to see CC(=CC(C=C(C)C=C)O)C	152.23	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
4-Isopropylbenzyl alcohol	325	Click to see CC(C)C1=CC=C(C=C1)CO	150.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
4-Terpineol, (+/-)-	11230	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
alpha-Terpinene	7462	Click to see CC1=CC=C(CC1)C(C)C	136.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1016/0031-9422(86)80032-2
Carveol	7438	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
p-Mentha-1,3,8-triene	176983	Click to see CC1=CC=C(CC1)C(=C)C	134.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Perillaldehyde	16441	Click to see CC(=C)C1CCC(=CC1)C=O	150.22	unknown	via CMAUP database
Terpin	6651	Click to see CC1(CCC(CC1)C(C)(C)O)O	172.26	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
Terpinolene	11463	Click to see CC1=CCC(=C(C)C)CC1	136.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(4R)-4-hydroxy-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one	25755221	Click to see CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C	226.31	unknown	https://doi.org/10.1071/CH9892071
(4S,5S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one	162964206	Click to see CC1CC(=O)CC(C1(C=CC(C)O)O)(C)C	226.31	unknown	https://doi.org/10.1016/0031-9422(92)83154-Q
(4S)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one	124355562	Click to see CC1=CC(=O)CC(C1C=CC(C)O)(C)C	208.30	unknown	https://doi.org/10.1016/S0031-9422(00)81745-8
3-Hydroxy-beta-ionone	5363700	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C	208.30	unknown	https://doi.org/10.1021/JF00041A004
3-Oxo-alpha-ionol	5370052	Click to see CC1=CC(=O)CC(C1C=CC(C)O)(C)C	208.30	unknown	https://doi.org/10.1016/S0031-9422(00)81745-8 https://doi.org/10.1021/JF00041A004 https://doi.org/10.1016/S0021-9673(01)01150-5
3-Oxo-alpha-ionone	5363685	Click to see CC1=CC(=O)CC(C1C=CC(=O)C)(C)C	206.28	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
4-(3-Hydroxybut-1-en-1-ylidene)-3,5,5-trimethylcyclohex-2-en-1-one	15624538	Click to see CC1=CC(=O)CC(C1=C=CC(C)O)(C)C	206.28	unknown	https://doi.org/10.1071/CH9892071
4-(3-Hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol	5352752	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(C)O	210.31	unknown	https://doi.org/10.1021/JF00041A004
4-Hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-2-cyclohexen-1-one	440265	Click to see CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C	222.28	unknown	https://doi.org/10.1016/S0031-9422(00)81745-8
4-Hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,3,5-trimethylcyclohexan-1-one	71344200	Click to see CC1CC(=O)CC(C1(C=CC(C)O)O)(C)C	226.31	unknown	https://doi.org/10.1016/0031-9422(92)83154-Q
4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one	440244	Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1016/S0031-9422(00)81745-8
4-Oxo-beta-ionol	6430464	Click to see CC1=C(C(CCC1=O)(C)C)C=CC(C)O	208.30	unknown	https://doi.org/10.1021/JF00041A004
6,7-Dehydro-7,8-dihydro-3-oxo-alpha-ionol (isomer 1)	5352454	Click to see CC1=CC(=O)CC(C1=CCC(C)O)(C)C	208.30	unknown	https://doi.org/10.1021/JF00041A004
9-Epiblumenol B	14135401	Click to see CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C	226.31	unknown	https://doi.org/10.1071/CH9892071
alpha-Cadinol	10398656	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
CID 15703400	15703400	Click to see CC(C=C=C1C(CC(CC1(C)O)O)(C)C)O	226.31	unknown	https://doi.org/10.1071/CH9892071
CID 162891758	162891758	Click to see CC1=CC(=O)CC(C1=C=CC(C)O)(C)C	206.28	unknown	https://doi.org/10.1071/CH9892071
CID 520684	520684	Click to see CC1=CC(=O)CC(C1C=CC(C)O)(C)C	208.30	unknown	https://doi.org/10.1016/S0031-9422(00)81745-8
CID 92467541	92467541	Click to see CC(C=C=C1C(CC(CC1(C)O)O)(C)C)O	226.31	unknown	https://doi.org/10.1071/CH9892071
Corchoionol C	137705650	Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1021/JF00041A004 https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://doi.org/10.1016/S0031-9422(00)81745-8
Dehydrovomifoliol	688492	Click to see CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C	222.28	unknown	https://doi.org/10.1021/JF00041A004 https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://doi.org/10.1016/S0031-9422(00)81745-8
Grasshopper ketone	13922639	Click to see CC(=O)C=C=C1C(CC(CC1(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://doi.org/10.1071/CH9892071 https://doi.org/10.1021/JF00041A004
Grasshopper ketone	10220146	Click to see CC(=O)C=C=C1C(CC(CC1(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1071/CH9892071
Ueejdiuocucvhn-pwsuyjocsa-	14135400	Click to see CC1=CC(=O)CC(C1CCC(C)O)(C)C	210.31	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
Vomifoliol	5280462	Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X https://doi.org/10.1016/S0031-9422(00)81745-8 https://doi.org/10.1021/JF00041A004
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
alpha-Cedrene	6431015	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(1S,4S,7S,8E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-8-ene-1,4,7-triol	163016716	Click to see CC(C)C1C=CC(CCC(C(=C)CC1O)O)(C)O	254.36	unknown	https://doi.org/10.1016/S0031-9422(02)00149-8 https://doi.org/10.1055/S-2005-871294
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Trichothecenes
[(1R,3R,6S,8R,12Z,18E,20Z,24R,25S,26S)-5,13,25-trimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-6-yl] acetate	10030249	Click to see CC1=CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(=O)OCC1)C)OC(=O)C	542.60	unknown	https://doi.org/10.21548/25-2-2143
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
Taraxerol	92097	Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol	15612565	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=C(C)CCC=C(C)C)O)O)O)O)O)O	462.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol	15624182	Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)C)C	448.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
2-[[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,7-dimethylocta-2,6-dienoxy)oxane-3,4,5-triol	73200383	Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)C)C	448.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
Acuminoside	131750855	Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)C)C	448.50	unknown	https://doi.org/10.1021/JF00096A016
Geranyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside	15624181	Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)C)C	448.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
Neryl 6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside	15612566	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=C(C)CCC=C(C)C)O)O)O)O)O)O	462.50	unknown	https://doi.org/10.1016/0031-9422(82)83034-3
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
19-Deoxy-15-chlorojanerin	327915	Click to see CC(=C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O	382.80	unknown	https://doi.org/10.1016/J.JFCA.2004.02.010 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
(6'S)-beta,epsilon-carotene	6419724	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	536.90	unknown	via CMAUP database
15-cis-Phytoene	9963391	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	544.90	unknown	via CMAUP database
all-trans-alpha-Carotene	4369188	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	536.90	unknown	https://doi.org/10.1007/BF00574814
alpha-Carotene	6419725	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	536.90	unknown	https://doi.org/10.1007/BF00574814 https://doi.org/10.1021/JF00087A017
Beta-Carotene	5280489	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C	536.90	unknown	https://doi.org/10.1007/BF00574814
gamma-Carotene	5280791	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C	536.90	unknown	https://doi.org/10.1007/BF00574814
Lycopene	446925	Click to see CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C	536.90	unknown	https://doi.org/10.1007/BF00574814
Phytoene	5280784	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	544.90	unknown	https://doi.org/10.1007/BF00574814
Phytofluene	6436722	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	542.90	unknown	https://doi.org/10.1007/BF00574814
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(3S,5R,8R,3'R)-mutatoxanthin	21765300	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C	584.90	unknown	via CMAUP database
(6S,7Ar)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol	134737870	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C	584.90	unknown	https://doi.org/10.1007/BF00574814
2-[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol	101526841	Click to see CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C	600.90	unknown	https://doi.org/10.1007/BF00574814 https://doi.org/10.1021/JF034275K
Antheraxanthin	5281223	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C	584.90	unknown	https://doi.org/10.1007/BF00574814
Cryptoxanthin	5281235	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C	552.90	unknown	https://doi.org/10.1007/BF00574814
Flavoxanthin	5281238	Click to see CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C)(C)C)O	584.90	unknown	via CMAUP database
Lutein	5281243	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1007/BF00574814 https://doi.org/10.1021/JF034275K
Lutein 5,6-epoxide	5281244	Click to see CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O	584.90	unknown	via CMAUP database
Mutatoxanthin	5376325	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C	584.90	unknown	https://doi.org/10.1007/BF00574814
Neoxanthin	5282217	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C	600.90	unknown	via CMAUP database
Violaxanthin	448438	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C	600.90	unknown	https://doi.org/10.1007/BF00574814 https://doi.org/10.1021/JF034275K
Zeaxanthin	5280899	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1007/BF00574814
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-15-one	163195135	Click to see CCC(=O)C1CC(C2(O1)CC(=O)C3(C2(CCC4=C3CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)CO)O)O)O)C)C)C)C	634.80	unknown	https://doi.org/10.3987/COM-05-10515
(4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde	5320280	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C=O)C	440.70	unknown	https://doi.org/10.1007/BF00580051
(6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol	145706026	Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C	426.70	unknown	https://doi.org/10.1007/BF00580051
6-[4-(Acetyloxymethyl)-15-hydroxy-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid	163064738	Click to see CC(CC(=O)CC(C)C(=O)O)C1CC(C2(C1(CC(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)COC(=O)C)C)C)C)O	572.70	unknown	https://doi.org/10.21548/25-2-2143
alpha-Amyrin	73170	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
Beta-Amyrin	73145	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
Betulin	72326	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO	442.70	unknown	https://doi.org/10.21608/BFSA.2001.65958
Betulinic Acid	64971	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O	456.70	unknown	https://doi.org/10.21608/BFSA.2001.65958
Germanicol	122857	Click to see CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
Lupeol	259846	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
Methyl oleanolate	92900	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC)C	470.70	unknown	https://doi.org/10.1007/BF00580051
Oleanolic Acid	10494	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C	456.70	unknown	https://doi.org/10.1016/S0031-9422(00)98571-6 https://doi.org/10.1093/JXB/50.331.175
Oleanolic aldehyde	10321055	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C=O)C	440.70	unknown	https://doi.org/10.1007/BF00580051 https://doi.org/10.1016/J.PHYTOL.2008.07.007
Oleanonic acid	12313704	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)O)C	454.70	unknown	https://doi.org/10.1016/S0031-9422(00)98571-6
Ursolic aldehyde	14423521	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C=O	440.70	unknown	https://doi.org/10.1007/BF00580051
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Monohydroxy bile acids, alcohols and derivatives
(4alpha,5alpha,7beta,25S)-7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid	68150385	Click to see CC1C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C)O	470.60	unknown	https://doi.org/10.1002/JSSC.200401822
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
Cholesterol	5997	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	386.70	unknown	https://doi.org/10.1007/BF00713348
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	145925700	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
Cycloartenol	92110	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
Ergosterol	444679	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C	396.60	unknown	https://doi.org/10.1007/BF00713348
Obtusifoliol	65252	Click to see CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
[(3R,5S,8S,9S,10S,11R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate	25180961	Click to see CC(=O)OC1CC2(C(CCC2C3C1C4(CCC(CC4CC3)O)C)C=C)C	360.50	unknown	https://doi.org/10.1111/J.1755-0238.1995.TB00080.X https://doi.org/10.1021/JF030278L https://doi.org/10.1016/S0031-9422(99)00068-0 https://doi.org/10.1007/BF02632209 https://doi.org/10.1021/JF0002948 https://doi.org/10.1021/JF00056A027
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86821	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.21608/BFSA.2001.65958 https://doi.org/10.1007/BF00713348
24-Ethylcholest-5-en-3beta-ol	22012	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1007/BF00713348 https://doi.org/10.21608/BFSA.2001.65958
alpha1-Sitosterol	9548595	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C	426.70	unknown	https://doi.org/10.1007/BF00580051
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	via CMAUP database
> Organic acids and derivatives / Carboximidic acids and derivatives / Carboximidic acids
N-Ethylacetamide	12253	Click to see CCNC(=O)C	87.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Acrylic acids and derivatives / Acrylic acids
Acrylic acid	6581	Click to see C=CC(=O)O	72.06	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
N-Acetyl-L-glutamic acid	70914	Click to see CC(=O)NC(CCC(=O)O)C(=O)O	189.17	unknown	https://doi.org/10.1007/S11306-014-0638-X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoate	6942100	Click to see C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])O	181.19	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids / N-acyl-L-alpha-amino acids
N-Acetyl-L-alanine	88064	Click to see CC(C(=O)O)NC(=O)C	131.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
2-S-glutathionyl caftaric acid	117842555	Click to see C1=CC(=C(C(=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O	617.50	unknown	https://doi.org/10.1021/JF9601628
2,5-di-S-Glutathionyl caftaric acid	157009738	Click to see C1=C(C(=C(C(=C1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C=CC(=O)OC(C(C(=O)O)O)C(=O)O	922.80	unknown	https://doi.org/10.1016/J.JFCA.2003.09.010
cyclo[Ala-Leu-Leu-Val-Ser-Pro-D-Trp]	25093024	Click to see CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CC3=CNC4=CC=CC=C43)CO)C(C)C)CC(C)C)CC(C)C	766.90	unknown	https://doi.org/10.1021/NP000426R https://doi.org/10.1016/S0981-9428(03)00124-4
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid amides / Secondary carboxylic acid amides
N-Cyclohexylformamide	13017	Click to see C1CCC(CC1)NC=O	127.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
2-(Pentyloxy)ethyl acetate	526912	Click to see CCCCCOCCOC(=O)C	174.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Methylbutyl acetate	12209	Click to see CCC(C)COC(=O)C	130.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Butyl Acetate	31272	Click to see CCCCOC(=O)C	116.16	unknown	via CMAUP database
Ethyl Acetate	8857	Click to see CCOC(=O)C	88.11	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Ethyl isobutyrate	7342	Click to see CCOC(=O)C(C)C	116.16	unknown	via CMAUP database
Ethyl Lactate	7344	Click to see CCOC(=O)C(C)O	118.13	unknown	via CMAUP database
Ethyl propionate	7749	Click to see CCC(=O)OCC	102.13	unknown	via CMAUP database
Hexyl Acetate	8908	Click to see CCCCCCOC(=O)C	144.21	unknown	via CMAUP database
Isoamyl acetate	31276	Click to see CC(C)CCOC(=O)C	130.18	unknown	via CMAUP database
Pentyl acetate	12348	Click to see CCCCCOC(=O)C	130.18	unknown	via CMAUP database
Propyl acetate	7997	Click to see CCCOC(=O)C	102.13	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters / Methyl esters
Methyl isobutyrate	11039	Click to see CC(C)C(=O)OC	102.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
2-(Carboxyethoxy)propanal	91828202	Click to see CC(C=O)OC(C)C(=O)O	146.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Hydron;acetate	21980959	Click to see [H+].CC(=O)[O-]	60.05	unknown	via CMAUP database
Isobutyric acid	6590	Click to see CC(C)C(=O)O	88.11	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Acetic Anhydride	7918	Click to see CC(=O)OC(=O)C	102.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Butanedioate;hydron	21952380	Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-]	118.09	unknown	via CMAUP database
Methylmalonic acid	487	Click to see CC(C(=O)O)C(=O)O	118.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Succinic Acid	1110	Click to see C(CC(=O)O)C(=O)O	118.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1259504/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
3,4,5-Tris(acetyloxy)benzoic acid	95088	Click to see CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)O	296.23	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
(4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid	580944	Click to see CCCCCCC1=C(C(=O)OC1=O)CC(=O)O	240.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron	88113319	Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O	192.12	unknown	via CMAUP database
Citric Acid	311	Click to see C(C(=O)O)C(CC(=O)O)(C(=O)O)O	192.12	unknown	https://doi.org/10.1021/JF9709156
> Organic acids and derivatives / Hydroxy acids and derivatives / Alpha hydroxy acids and derivatives
2-Oxonioacetate	3698251	Click to see C(C(=O)[O-])[OH2+]	76.05	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
3-Hydroxybutyric acid	441	Click to see CC(CC(=O)O)O	104.10	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
Diethyl malate	24197	Click to see CCOC(=O)CC(C(=O)OCC)O	190.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic acids and derivatives / Keto acids and derivatives / Short-chain keto acids and derivatives
4-Methyl-2-oxopentanoic acid	70	Click to see CC(C)CC(=O)C(=O)O	130.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / 2-arylethylamines
Histamine	774	Click to see C1=C(NC=N1)CCN	111.15	unknown	https://doi.org/10.1111/J.1365-2621.2000.TB10254.X
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
1,2-Dimethylpropylamine	11731	Click to see CC(C)C(C)N	87.16	unknown	https://doi.org/10.1021/JF00107A012
1,4-Diaminobutane	1045	Click to see C(CCN)CN	88.15	unknown	https://doi.org/10.1111/J.1365-2621.2000.TB10254.X
Cadaverine	273	Click to see C(CCN)CCN	102.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1111/J.1365-2621.2000.TB10254.X
Isoamylamine	7894	Click to see CC(C)CCN	87.16	unknown	https://doi.org/10.1021/JF00107A012
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines
Spermidine	1102	Click to see C(CCNCCCN)CN	145.25	unknown	https://doi.org/10.1111/J.1365-2621.2000.TB10254.X
> Organic oxygen compounds / Organic oxides
beta-Cyclocitral	9895	Click to see CC1=C(C(CCC1)(C)C)C=O	152.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
Chlorogenic Acid	1794427	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	https://doi.org/10.1007/BF02902313 https://doi.org/10.1080/13102818.2006.10817302 https://doi.org/10.1002/JSSC.200500003
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols
1,2-Butanediol	11429	Click to see CCC(CO)O	90.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2,3-Butanediol	262	Click to see CC(C(C)O)O	90.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Propylene Glycol	1030	Click to see CC(CO)O	76.09	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
1-Butanol	263	Click to see CCCCO	74.12	unknown	via CMAUP database
1-Pentanol	6276	Click to see CCCCCO	88.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
1-Propanol	1031	Click to see CCCO	60.10	unknown	via CMAUP database
2-Penten-1-OL	5364920	Click to see CCC=CCO	86.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3-Buten-1-ol	69389	Click to see C=CCCO	72.11	unknown	via CMAUP database
3-Methyl-1-pentanol	11508	Click to see CCC(C)CCO	102.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3-Methyl-3-buten-1-ol	12988	Click to see CC(=C)CCO	86.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
4-Methyl-1-pentanol	12296	Click to see CC(C)CCCO	102.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Isoamyl alcohol	31260	Click to see CC(C)CCO	88.15	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
2-Pentanol	22386	Click to see CCCC(C)O	88.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3-Methyl-2-butanol	11732	Click to see CC(C)C(C)O	88.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
(1S,4S,6S)-1-[(3R)-3-hydroxybut-1-ynyl]-2,2,6-trimethylcyclohexane-1,4-diol	162998579	Click to see CC1CC(CC(C1(C#CC(C)O)O)(C)C)O	226.31	unknown	https://doi.org/10.1071/CH9892071
1-(3-Hydroxybut-1-yn-1-yl)-2,2,6-trimethylcyclohexane-1,4-diol	15624543	Click to see CC1CC(CC(C1(C#CC(C)O)O)(C)C)O	226.31	unknown	https://doi.org/10.1071/CH9892071
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
2-Methyl-3-buten-2-ol	8257	Click to see CC(C)(C=C)O	86.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
5,7-Octadien-2-ol, 2,6-dimethyl-, (Z)-	13547825	Click to see CC(=CCCC(C)(C)O)C=C	154.25	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
Dihydromyrcenol	29096	Click to see CC(CCCC(C)(C)O)C=C	156.26	unknown	via CMAUP database
Hotrienol	5366264	Click to see CC(=C)C=CCC(C)(C=C)O	152.23	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
Myrcenol	10975	Click to see CC(C)(CCCC(=C)C=C)O	154.25	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
D-(-)-Fructose	5984	Click to see C(C(C(C(C(=O)CO)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF9709156 https://doi.org/10.1021/JF960251K
D-Fructose	2723872	Click to see C1C(C(C(C(O1)(CO)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF9709156 https://doi.org/10.1021/JF960251K
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Heptoses
(3R,4S,5R,6R)-3,4,5,6,7-pentahydroxy-1-(3,4,5-trihydroxyphenyl)heptane-1,2-dione	21120298	Click to see C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)C(C(C(C(CO)O)O)O)O	332.26	unknown	https://doi.org/10.1021/JF9912506
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
D-Glucose	5793	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF960251K https://doi.org/10.1021/JF9709156
D(+)-Glucose	107526	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF9709156 https://doi.org/10.1021/JF960251K
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
(2R)-2,3-Dihydroxypropanoic acid	439194	Click to see C(C(C(=O)O)O)O	106.08	unknown	via CMAUP database
2,3-Dihydroxybutanedioate;hydron	21583978	Click to see [H+].[H+].C(C(C(=O)[O-])O)(C(=O)[O-])O	150.09	unknown	via CMAUP database
L-Tartaric acid	444305	Click to see C(C(C(=O)O)O)(C(=O)O)O	150.09	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
Glycerin	753	Click to see C(C(CO)O)O	92.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Acyloins
Acetoin	179	Click to see CC(C(=O)C)O	88.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Valeraldehyde	8063	Click to see CCCCC=O	86.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
3-Furaldehyde	10351	Click to see C1=COC=C1C=O	96.08	unknown	via CMAUP database
5-Hydroxymethylfurfural	237332	Click to see C1=C(OC(=C1)C=O)CO	126.11	unknown	https://doi.org/10.1021/JF970894F
Furfural	7362	Click to see C1=COC(=C1)C=O	96.08	unknown	https://doi.org/10.1021/JF970894F https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2-Octenal	5283324	Click to see CCCCCC=CC=O	126.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Decanal	8175	Click to see CCCCCCCCCC=O	156.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/ https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	https://doi.org/10.1021/JF990019P https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Octanal	454	Click to see CCCCCCCC=O	128.21	unknown	via CMAUP database
Undecanal	8186	Click to see CCCCCCCCCCC=O	170.29	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
3-Methyl-2-butenal	61020	Click to see CC(=CC=O)C	84.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
(E)-1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one	92254819	Click to see CC=CC(=O)C1=C(CC(CC1(C)C)O)C	208.30	unknown	https://doi.org/10.1071/CH9892071
(Z)-1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one	98100488	Click to see CC=CC(=O)C1=C(CC(CC1(C)C)O)C	208.30	unknown	https://doi.org/10.1071/CH9892071
1-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one	92564	Click to see CC=CC(=O)C1=C(CC(CC1(C)C)O)C	208.30	unknown	https://doi.org/10.1071/CH9892071
1-Octen-3-one	61346	Click to see CCCCCC(=O)C=C	126.20	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
2,6,6-Trimethyl-1-crotonyl-1,3-cyclohexadiene	62775	Click to see CC=CC(=O)C1=C(C=CCC1(C)C)C	190.28	unknown	https://doi.org/10.1071/CH9892071
Damascenone	5366074	Click to see CC=CC(=O)C1=C(C=CCC1(C)C)C	190.28	unknown	https://doi.org/10.1071/CH9892071 https://doi.org/10.1016/S0021-9673(99)00540-3
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde	126	Click to see C1=CC(=CC=C1C=O)O	122.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Protocatechualdehyde	8768	Click to see C1=CC(=C(C=C1C=O)O)O	138.12	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1021/JF9912506
Salicylaldehyde	6998	Click to see C1=CC=C(C(=C1)C=O)O	122.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2,2,6-Trimethylcyclohexane-1,4-dione	30181	Click to see CC1CC(=O)CC(C1=O)(C)C	154.21	unknown	https://doi.org/10.1071/CH9892071
2beta,6,6-Trimethylcyclohexane-1,4-dione	60090780	Click to see CC1CC(=O)CC(C1=O)(C)C	154.21	unknown	https://doi.org/10.1071/CH9892071
Cyclohexanone	7967	Click to see C1CCC(=O)CC1	98.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
(2R)-2-[(E,3R)-3-hydroxybut-1-enyl]-2,6,6-trimethylcyclohex-3-en-1-one	162852326	Click to see CC(C=CC1(C=CCC(C1=O)(C)C)C)O	208.30	unknown	https://doi.org/10.1071/CH9892071
3-Oxo-alpha-damascone	5352453	Click to see CC=CC(=O)C1C(=CC(=O)CC1(C)C)C	206.28	unknown	https://doi.org/10.1071/CH9892071
CID 86126799	86126799	Click to see CC(C=CC1(C=CCC(C1=O)(C)C)C)O	208.30	unknown	https://doi.org/10.1071/CH9892071
Sorbicillamine B	136264441	Click to see CC=CC=CC(=C1C2C3(C(=C4C(=O)CC(N=C4C(C3(OC2(C(=O)C(=C1O)C)C)O)(C)O)C=CC)O)C)O	511.60	unknown	https://doi.org/10.1002/JSFA.1885
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Decanone	12741	Click to see CCCCCCCCC(=O)C	156.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Heptanone	8051	Click to see CCCCCC(=O)C	114.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Nonanone	13187	Click to see CCCCCCCC(=O)C	142.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Octanone	8093	Click to see CCCCCCC(=O)C	128.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2-Undecanone	8163	Click to see CCCCCCCCCC(=O)C	170.29	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
2,4-Dimethyl-3-pentanone	11271	Click to see CC(C)C(=O)C(C)C	114.19	unknown	via CMAUP database
2,5-Hexanedione	8035	Click to see CC(=O)CCC(=O)C	114.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
3-Ethoxybutan-2-one	13609260	Click to see CCOC(C)C(=O)C	116.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
4-Mercapto-4-methyl-2-pentanone	88290	Click to see CC(=O)CC(C)(C)S	132.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
6-Methyl-5-hepten-2-one	9862	Click to see CC(=CCCC(=O)C)C	126.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Alpha-diketones
2,3-Hexanedione	19707	Click to see CCCC(=O)C(=O)C	114.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Beta-hydroxy ketones
Diacetone Alcohol	31256	Click to see CC(=O)CC(C)(C)O	116.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
2-Bromoacetophenone	6259	Click to see C1=CC=C(C=C1)C(=O)CBr	199.04	unknown	via CMAUP database
2'-Aminoacetophenone	11086	Click to see CC(=O)C1=CC=CC=C1N	135.16	unknown	https://doi.org/10.1111/J.1365-2621.1997.TB03978.X
4-Hydroxy-2-methylacetophenone	70133	Click to see CC1=C(C=CC(=C1)O)C(=O)C	150.17	unknown	via CMAUP database
4'-Hydroxyacetophenone	7469	Click to see CC(=O)C1=CC=C(C=C1)O	136.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Acetophenone	7410	Click to see CC(=O)C1=CC=CC=C1	120.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Acetovanillone	2214	Click to see CC(=O)C1=CC(=C(C=C1)O)OC	166.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Ethers / Acetals
1-(1-Ethoxyethoxy)pentane	114523	Click to see CCCCCOC(C)OCC	160.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
2-Methoxy-1-propanol	14846	Click to see CC(CO)OC	90.12	unknown	https://doi.org/10.1021/JF034275K https://doi.org/10.1007/BF00574814
3-Ethoxy-1-propanol	8109	Click to see CCOCCCO	104.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Methyl tert-butyl ether	15413	Click to see CC(C)(C)OC	88.15	unknown	via CMAUP database
> Organohalogen compounds / Organoiodides
1-Iodo-2-methylundecane	545590	Click to see CCCCCCCCCC(C)CI	296.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Benzodioxoles
7-(1,3-Benzodioxol-5-yl)-8-hydroxy-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one	75069493	Click to see CC1C(C2(C(C1(C=C(C2=O)OC)CC=C)O)OC)C3=CC4=C(C=C3)OCO4	372.40	unknown	https://doi.org/10.1016/J.FITOTE.2007.11.005 https://doi.org/10.1016/S0040-4020(98)00332-9 https://doi.org/10.1016/S0040-4020(01)00144-2 https://doi.org/10.3987/COM-05-10515
> Organoheterocyclic compounds / Benzofurans
(1S)-1-[(2R,7aR)-4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl]ethanol	162999429	Click to see CC(C1C=C2C(CC=CC2(O1)C)(C)C)O	208.30	unknown	https://doi.org/10.1071/CH9892071
(2S,7aS)-2-[(1S)-1-hydroxyethyl]-4,4,7a-trimethyl-5,7-dihydro-2H-1-benzofuran-6-one	163185175	Click to see CC(C1C=C2C(CC(=O)CC2(O1)C)(C)C)O	224.30	unknown	https://doi.org/10.1071/CH9892071
(S)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one	157995	Click to see CC1(CCCC2(C1=CC(=O)O2)C)C	180.24	unknown	https://doi.org/10.1071/CH9892071
1-(4,4,7a-Trimethyl-2,4,5,7a-tetrahydro-1-benzofuran-2-yl)ethan-1-ol	15558328	Click to see CC(C1C=C2C(CC=CC2(O1)C)(C)C)O	208.30	unknown	https://doi.org/10.1071/CH9892071
2-(1-hydroxyethyl)-4,4,7a-trimethyl-5,7-dihydro-2H-1-benzofuran-6-one	13857518	Click to see CC(C1C=C2C(CC(=O)CC2(O1)C)(C)C)O	224.30	unknown	https://doi.org/10.1071/CH9892071
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one	27209	Click to see CC1(CCCC2(C1=CC(=O)O2)C)C	180.24	unknown	https://doi.org/10.1071/CH9892071
5,8-Epoxy-6-megastigmen-3,9-diol	91750247	Click to see CC(C1C=C2C(CC(CC2(O1)C)O)(C)C)O	226.31	unknown	https://doi.org/10.1021/JF00041A004
Dehydrololiolide	9815531	Click to see CC1(CC(=O)CC2(C1=CC(=O)O2)C)C	194.23	unknown	https://doi.org/10.1071/CH9892071
Dehydrololiolide, (R)-	14158699	Click to see CC1(CC(=O)CC2(C1=CC(=O)O2)C)C	194.23	unknown	https://doi.org/10.1071/CH9892071
Dihydroactinidiolide	6432173	Click to see CC1(CCCC2(C1=CC(=O)O2)C)C	180.24	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans
2-[(2S)-5-oxo-3-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2H-furan-2-yl]acetic acid	101345908	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)OC3CC(=O)O)O	322.27	unknown	via CMAUP database
Viniferone A	101345907	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)OC3CC(=O)O)O	322.27	unknown	via CMAUP database
Viniferone C	101345909	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)OC3CC(=O)O)O	322.27	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthenes
13-deacetoxyaustalide I	139588403	Click to see CC1=C2COC(=O)C2=C(C3=C1OC4(CCC5C(OC(=O)CCC5(C4C3)C)(C)C)C)OC	428.50	unknown	https://doi.org/10.1002/JSFA.1885
> Organoheterocyclic compounds / Benzothiazoles
Benzothiazole	7222	Click to see C1=CC=C2C(=C1)N=CS2	135.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Coumarans
2,3-Dihydrobenzofuran	10329	Click to see C1COC2=CC=CC=C21	120.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
Dihydrouracil	649	Click to see C1CNC(=O)NC1=O	114.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (-)-	12799212	Click to see CC1C(=C(C(=O)O1)O)C	128.13	unknown	via CMAUP database
> Organoheterocyclic compounds / Dioxolanes / 1,3-dioxolanes
4,5-Dimethyl-2-pentadecyl-1,3-dioxolane	568153	Click to see CCCCCCCCCCCCCCCC1OC(C(O1)C)C	312.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Epoxides
2,3-Epoxy-3,7-dimethyloct-6-enol	530403	Click to see CC(=CCCC1(C(O1)CO)C)C	170.25	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
> Organoheterocyclic compounds / Furans / Furoic acid and derivatives / Furoic acids
2-Furoic acid	6919	Click to see C1=COC(=C1)C(=O)O	112.08	unknown	https://doi.org/10.1021/JF970894F https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
Tryptophol	10685	Click to see C1=CC=C2C(=C1)C(=CN2)CCO	161.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
D-Tryptophan	9060	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
Tryptophan	6305	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	https://doi.org/10.1021/JF0009753
> Organoheterocyclic compounds / Lactams / Caprolactams
Caprolactam	7768	Click to see C1CCC(=O)NCC1	113.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(5R)-5-ethoxyoxolan-2-one	59947682	Click to see CCOC1CCC(=O)O1	130.14	unknown	via CMAUP database
4-(1-Hydroxyethyl)-gamma-butanolactone	12664706	Click to see CC(C1CC(=O)OC1)O	130.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
5-Ethoxydihydro-2(3H)-furanone	356063	Click to see CCOC1CCC(=O)O1	130.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
CID 162977223	162977223	Click to see CC1CC2(C(CC(C3(C2=C)CO3)OC(=O)C)C(=O)C14CC(OC4=O)C5=COC=C5)O	416.40	unknown	https://doi.org/10.1007/BF00574814 https://doi.org/10.1021/JF034275K
gamma-Butyrolactone	7302	Click to see C1CC(=O)OC1	86.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
gamma-Valerolactone	7921	Click to see CC1CCC(=O)O1	100.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Naphthopyrans
Paspalinine	9867531	Click to see CC1(C2C(=O)C=C3C4(CCC5CC6=C(C5(C4(CCC3(O2)O1)C)C)NC7=CC=CC=C67)O)C	433.50	unknown	https://doi.org/10.1021/NP4005294
> Organoheterocyclic compounds / Oxanes
(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol	6428574	Click to see CC1(C(CCC(O1)(C)C=C)O)C	170.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Oxepanes
Annuionone D	14605579	Click to see CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C	224.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Oxolanes
(2S,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene	15624541	Click to see CC1CCC2(O1)C(=C)C=CCC2(C)C	192.30	unknown	https://doi.org/10.1071/CH9892071
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-	6431475	Click to see CC1(CCC(O1)C(C)(C)O)C=C	170.25	unknown	via CMAUP database
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis-	11116492	Click to see CC1(CCC(O1)C(C)(C)O)C=C	170.25	unknown	via CMAUP database
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-ol	71339001	Click to see CC1CCC2(O1)C(=CC(CC2(C)C)O)C	210.31	unknown	https://doi.org/10.1021/JF00041A004
cis-Vitispirane	91748031	Click to see CC1CCC2(O1)C(=C)C=CCC2(C)C	192.30	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyrans
Nerol oxide	61275	Click to see CC1=CCOC(C1)C=C(C)C	152.23	unknown	https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
Maltol	8369	Click to see CC1=C(C(=O)C=CO1)O	126.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
Scutebarbatine I(rel)	24814211	Click to see CCOC1CC2CC(OC2O1)C3(C(CC(C4(C3CCCC45CO5)COC(=O)C)OC(=O)C6=CN=CC=C6)C)C	543.60	unknown	https://doi.org/10.1021/JF00056A027
> Organoheterocyclic compounds / Pyrrolidines / Pyrrolidones / Pyrrolidine-2-ones
2-Pyrrolidinone	12025	Click to see C1CC(=O)NC1	85.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organoheterocyclic compounds / Tetrahydrofurans
Vitispirane	6450832	Click to see CC1CCC2(O1)C(=C)C=CCC2(C)C	192.30	unknown	https://doi.org/10.1071/CH9892071 https://doi.org/10.1111/J.1365-2621.1994.TB06919.X
> Organosulfur compounds / Thioethers / Dialkylthioethers
Methionol	10448	Click to see CSCCCO	106.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Organosulfur compounds / Thiols / Alkylthiols
3-Mercapto-1-hexanol	521348	Click to see CCCC(CCO)S	134.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(-)-Ampelopsin A	60065970	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O	470.50	unknown	via CMAUP database
(-)-Hopeaphenol	44334030	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	via CMAUP database
(-)-Viniferal	44583908	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C4C(OC5=C4C=C(C=C5)C=O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O	574.60	unknown	https://doi.org/10.1016/0040-4020(96)00543-1
(+)-epsilon-Viniferin	5315233	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/AC970582B https://doi.org/10.1021/JF030227O https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1016/0040-4020(96)00543-1 https://doi.org/10.1016/S0040-4020(01)00144-2
(+)-Isohopeaphenol	13844644	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.3987/COM-97-7870 https://doi.org/10.1016/S0040-4020(01)00144-2
(+)-Viniferol E	101725651	Click to see C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	924.90	unknown	https://doi.org/10.3987/COM-05-10515
(+)-Vitisin C	16145527	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	906.90	unknown	https://doi.org/10.1016/0040-4020(96)00543-1
(1R,2S,3S,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	59409135	Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O	680.70	unknown	via CMAUP database
(1R,4S,5S,11R,12R,15S,16S,22R)-4,15-bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-2(10),3(7),8,13(21),14(18),19-hexaene-9,20-diol	10795822	Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C5=C(C=C4O)OC(C5C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC1=C9C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.3987/COM-05-10515 https://doi.org/10.1021/JF200771Y
(1S,2R,3R,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	101383933	Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O	680.70	unknown	via CMAUP database
(1S,2R,3R,9R,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	131636775	Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O	680.70	unknown	https://doi.org/10.3987/COM-05-10515
(1S,2R,3R,9S,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	9917932	Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O	680.70	unknown	https://doi.org/10.3987/COM-05-10515
(1S,2S,3S,9S,10R,17R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	162962425	Click to see C1=CC(=CC=C1C2C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C(C2C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C(=C6)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.3987/COM-03-9754
(1S,2S,3S,9S,10S,17R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	101191783	Click to see C1=CC(=CC=C1C2C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C(C2C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C(=C6)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.1016/S0040-4020(02)00735-4
(1S,2S,3S,9S,10S,17S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	101110191	Click to see C1=CC(=CC=C1C2C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C(C2C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C(=C6)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.1016/S0040-4020(02)00735-4
(1S,8S,9R,16S)-9-[5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol	100952761	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(=CC(=C8)O)OC(=C9C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O)O)O	904.90	unknown	https://doi.org/10.1016/S0040-4020(99)00039-3
(1S,8S,9R,16S)-9-[5-[(Z)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol	102120913	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	via CMAUP database
(1S,9S)-9-[2-[(E)-2-[(2S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-5-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol	16133853	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)O)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	906.90	unknown	https://doi.org/10.1016/S0040-4020(01)00144-2 https://doi.org/10.1016/S0040-4020(98)00332-9
(2R,3S,10R,11R,18R,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol	162863064	Click to see C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O	678.70	unknown	https://doi.org/10.1016/S0031-9422(00)91470-5
(2R,3S,9S,10S,13R,14S,21S,22R)-10-(3,5-dihydroxyphenyl)-3,9,14,22-tetrakis(4-hydroxyphenyl)-8,23-dioxaheptacyclo[19.6.1.02,13.04,12.07,11.015,20.024,28]octacosa-1(28),4(12),5,7(11),15(20),16,18,24,26-nonaene-5,16,18,26-tetrol	101094667	Click to see C1=CC(=CC=C1C2C3C(C(C4=C(C=C(C=C4O)O)C5C(OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC1=C9C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.1016/S0040-4020(02)00735-4 https://doi.org/10.1016/S0040-4020(01)00144-2
(2R,3S)-cis-epsilon-viniferin	72551485	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1021/JF200771Y
(2S,3R,10S,11S,18R,19S,26R,27R)-3,11,19,27-tetrakis(4-hydroxyphenyl)-12,28-dioxaoctacyclo[24.6.1.110,13.02,18.04,9.020,25.029,33.017,34]tetratriaconta-1(33),4(9),5,7,13,15,17(34),20(25),21,23,29,31-dodecaene-5,7,15,21,23,31-hexol	162953645	Click to see C1=CC(=CC=C1C2C3C(C(C4=C(C=C(C=C4O)O)C5C(OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C1C(C(OC1=CC(=C9)O)C1=CC=C(C=C1)O)C1=C2C(=CC(=C1)O)O)O	906.90	unknown	https://doi.org/10.1016/0040-4039(96)00909-4
(2S,3R)-cis-epsilon-viniferin	72551486	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1021/JF200771Y https://doi.org/10.1016/S0981-9428(03)00124-4
(2S,3S,9S,17R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	101236482	Click to see C1=CC(=C2C(C(OC2=C1)C3=CC=C(C=C3)O)C4=CC(=CC(=C4)O)O)C5C(C6C(C7=C(C=C(C=C7O)O)C8C(OC9=C8C6=C5C(=C9)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O	890.90	unknown	https://doi.org/10.1016/S0040-4020(02)00735-4 https://doi.org/10.1002/CHIN.200340214
(2S,3S,9S,17S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	101236481	Click to see C1=CC(=C2C(C(OC2=C1)C3=CC=C(C=C3)O)C4=CC(=CC(=C4)O)O)C5C(C6C(C7=C(C=C(C=C7O)O)C8C(OC9=C8C6=C5C(=C9)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O	890.90	unknown	https://doi.org/10.1016/S0040-4020(02)00735-4
(2s,3s)-3-(3,5-Dihydroxyphenyl)-2-(4-Hydroxyphenyl)-4-[(E)-2-(4-Hydroxyphenyl)ethenyl]-2,3-Dihydro-1-Benzofuran-6-Yl Beta-D-Glucopyranoside	46890010	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)O	616.60	unknown	https://doi.org/10.1021/NP4005294
(2S,3S)-trans-delta-viniferin	10095474	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1021/NP000426R https://doi.org/10.1021/JF050122G
2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)benzofuran-6-ol	9803898	Click to see C1=CC(=CC=C1C=CC2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O	452.50	unknown	https://doi.org/10.1016/S0040-4020(99)00039-3
2-[3-[2-[3-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	75148873	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=CC(=C6)O)O)O	616.60	unknown	https://doi.org/10.1021/NP000426R
2-[3-[5-[2-(3,5-Dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	85253899	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O	616.60	unknown	https://doi.org/10.1021/NP000426R
3-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carbaldehyde	72963947	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C4C(OC5=C4C=C(C=C5)C=O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O	574.60	unknown	https://doi.org/10.1016/0040-4020(96)00543-1
3-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol	73802108	Click to see C1=CC(=CC=C1C2C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C(C2C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C(=C6)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.3987/COM-03-9754 https://doi.org/10.1016/S0040-4020(02)00735-4
3-Hydroxy-5-[2-[2,3-dihydro-2alpha-(4-hydroxyphenyl)-3beta-(3,5-dihydroxyphenyl)benzofuran-5-yl]ethenyl]phenyl beta-D-glucopyranoside	10555800	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=CC(=C6)O)O)O	616.60	unknown	https://doi.org/10.1021/NP000426R
4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-2-yl]benzene-1,2-diol	5279244	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O	470.50	unknown	via CMAUP database
4,15-Bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-2(10),3(7),8,13(21),14(18),19-hexaene-9,20-diol	73800070	Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C5=C(C=C4O)OC(C5C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC1=C9C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.3987/COM-05-10515 https://doi.org/10.1021/JF200771Y
5-[(2R,3R,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol	11765134	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O	680.70	unknown	https://doi.org/10.3987/COM-05-10515
5-[(2R,3R)-6-[(2R,3R)-5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]benzene-1,3-diol	16133855	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC(=C9C(C(OC9=C8)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.1016/0040-4020(96)00543-1 https://doi.org/10.1016/J.FITOTE.2007.11.005
5-[(2R,3R)-7-hydroxy-5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	102004665	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC6=C(C(=C5)O)OC(C6C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)O	680.70	unknown	via CMAUP database
5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	5315234	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1021/JF200771Y
5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	163003769	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1021/JF200771Y
5-[(2S,3S)-4-[(2R,3R)-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	100952762	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C4C(OC5=C4C=C(C=C5)C=CC6=C7C(=CC(=C6)O)OC(=C7C8=CC(=CC(=C8)O)O)C9=CC=C(C=C9)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	904.90	unknown	https://doi.org/10.1016/S0040-4020(99)00039-3
5-[(2S,3S)-4-[(E)-2-[(2R,3R)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	162943111	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	906.90	unknown	https://doi.org/10.1016/J.FITOTE.2007.11.005
5-[(2S,3S)-4-[(E)-2-[(3S)-3-[(3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	46890015	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	906.90	unknown	via CMAUP database
5-[(2S,3S)-5-[(2R,3S)-5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	162916097	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC9=C(C(=C8)O)OC(C9C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.1016/0040-4020(96)00543-1
5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	91060526	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	via CMAUP database
5-[(E)-2-[(2R,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol	159360373	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1021/NP000426R
5-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol	163191148	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1016/S0981-9428(03)00124-4
5-[3-(3,5-Dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol	73091958	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O	680.70	unknown	https://doi.org/10.3987/COM-05-10515
5-[4-[(E)-2-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-5-yl]vinyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-3-yl]benzene-1,3-diol	122370780	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	906.90	unknown	https://doi.org/10.1016/0040-4020(96)00543-1 https://doi.org/10.1016/J.FITOTE.2007.11.005
5-[4-[2-[3-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	91995939	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	906.90	unknown	https://doi.org/10.3987/COM-05-10515 https://doi.org/10.1016/0040-4020(96)00543-1 https://doi.org/10.1016/J.FITOTE.2007.11.005
5-[4-[5-[2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	162871368	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C4C(OC5=C4C=C(C=C5)C=CC6=C7C(=CC(=C6)O)OC(=C7C8=CC(=CC(=C8)O)O)C9=CC=C(C=C9)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	904.90	unknown	https://doi.org/10.1016/S0040-4020(99)00039-3
5-[5-[5-[2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	162916094	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC9=C(C(=C8)O)OC(C9C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.1016/0040-4020(96)00543-1
5-[6-Hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol	85041375	Click to see C1=CC(=CC=C1C=CC2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O	452.50	unknown	https://doi.org/10.1016/S0040-4020(99)00039-3
5-[6-Hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	366354	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1016/J.FITOTE.2007.11.005 https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1021/JF200771Y https://doi.org/10.1016/0040-4020(96)00543-1 https://doi.org/10.1021/JF102578U
5-[6-Hydroxy-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	366355	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O	680.70	unknown	https://doi.org/10.1021/JF200771Y
8,16-Bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol	2289	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O	470.50	unknown	https://doi.org/10.1016/J.FITOTE.2007.11.005 https://doi.org/10.3987/COM-05-10515
9-[5-[2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol	74975426	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(=CC(=C8)O)OC(=C9C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O)O)O	904.90	unknown	https://doi.org/10.1016/S0040-4020(99)00039-3
9-[5-[2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol	75214669	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.1016/J.FITOTE.2007.11.005 https://doi.org/10.1016/S0040-4020(98)00332-9
Alpha-Viniferin	196402	Click to see C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O	678.70	unknown	https://doi.org/10.1021/JF200771Y
Ampelopsin A	182999	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O	470.50	unknown	via CMAUP database
Ampelopsin B	5318088	Click to see C1C(C2=C(C=C(C=C2O)O)C3C(OC4=CC(=CC1=C34)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O	454.50	unknown	https://doi.org/10.1016/S0040-4020(98)00332-9
Ampelopsin E	10439550	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O	680.70	unknown	https://doi.org/10.3987/COM-05-10515
CID 16138152	16138152	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	906.90	unknown	via CMAUP database
CID 375682	375682	Click to see C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O	678.70	unknown	https://doi.org/10.1016/S0031-9422(00)91470-5 https://doi.org/10.1021/JF200771Y
CID 6712231	6712231	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.1016/S0040-4020(01)00144-2
CID 71307315	71307315	Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O	680.70	unknown	https://doi.org/10.3987/COM-03-9754 https://doi.org/10.1002/CHIN.200340214
cis-Miyabenol C	14412022	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O	680.70	unknown	https://doi.org/10.1021/JF200771Y
cis-Vitisin B	163193967	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O	906.90	unknown	https://doi.org/10.3987/COM-05-10515 https://doi.org/10.1016/0040-4020(96)00543-1
delta-Viniferin	637098	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1016/S0981-9428(03)00124-4
Epsilon-viniferin	5281728	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1021/JF200771Y https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1016/J.FITOTE.2007.11.005 https://doi.org/10.1016/0040-4039(96)00909-4 https://doi.org/10.1021/JF102578U https://doi.org/10.1021/JF050122G https://doi.org/10.1080/10286029908039886
Gnetin H	9852931	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O	680.70	unknown	https://doi.org/10.1080/10286029908039886
Hopeaphenol	495605	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.3987/COM-97-7870 https://doi.org/10.1021/JF200771Y
Isohopeaphenol	21669382	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O	906.90	unknown	https://doi.org/10.3987/COM-97-7870 https://doi.org/10.1021/JF200771Y
Lsnfjdfyazdwfx-ucypnaszsa-	21669380	Click to see C1=CC(=CC=C1C2C3C(C(C4=C(C=C(C=C4O)O)C5C(OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC1=C9C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.1016/S0040-4020(01)00144-2
Malibatol	102417404	Click to see C1=CC(=CC=C1C2C(C3=C4C(=CC(=C3)O)OC(=C4C5=C2C(=CC(=C5)O)O)C6=CC=C(C=C6)O)O)O	468.50	unknown	via CMAUP database
malibatol A	44575508	Click to see C1=CC(=CC=C1C2C(C3=C4C(=CC(=C3)O)OC(=C4C5=C2C(=CC(=C5)O)O)C6=CC=C(C=C6)O)O)O	468.50	unknown	https://doi.org/10.1016/S0040-4020(01)00144-2
Miyabenol C	6475924	Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O	680.70	unknown	https://doi.org/10.1021/JF200771Y
r-2-Viniferin	44251742	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.1016/J.FITOTE.2007.11.005 https://doi.org/10.1016/0031-9422(94)00811-7
resveratrol (E)-dehydrodimer 11-O-beta-D-glucopyranoside	10746383	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O	616.60	unknown	https://doi.org/10.1021/NP000426R
trans-delta-Viniferin	11487842	Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O	454.50	unknown	https://doi.org/10.1021/JF030227O
Viniferal	57518718	Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C4C(OC5=C4C=C(C=C5)C=O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O	574.60	unknown	https://doi.org/10.1016/0040-4020(96)00543-1
Viniferifuran	131751470	Click to see C1=CC(=CC=C1C=CC2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O	452.50	unknown	https://doi.org/10.1016/S0040-4020(99)00039-3
Viniferol A	73819536	Click to see C1=CC(=CC=C1C2C3C(C(C4=C(C=C(C=C4O)O)C5C(OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC1=C9C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.1016/S0040-4020(01)00144-2
Viniferol D	182979	Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O	680.70	unknown	https://doi.org/10.3987/COM-03-9754 https://doi.org/10.3987/COM-05-10515
Vitisin A	16131430	Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O	906.90	unknown	https://doi.org/10.1016/J.FITOTE.2007.11.005 https://doi.org/10.1016/S0040-4020(98)00332-9 https://doi.org/10.1016/S0040-4020(01)00144-2 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF0346612
> Phenylpropanoids and polyketides / 3,4-dihydrocoumarins
3,4-Dihydrocoumarin	660	Click to see C1CC(=O)OC2=CC=CC=C21	148.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives
2-hydroxy-2-methyl-N-[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanamide	162854059	Click to see CC(C)(C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2)O	302.37	unknown	https://doi.org/10.1080/09571260120095030 https://doi.org/10.1002/JSFA.1885 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF0346612 https://doi.org/10.1016/J.JFCA.2004.02.010 https://doi.org/10.1021/JF030278L
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
2-Propenoic acid, 3-phenyl-	8784	Click to see C1=CC=C(C=C1)C=CC(=O)O	148.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxybutanedioic acid	18318655	Click to see C1=CC(=C(C=C1C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O)O	312.23	unknown	https://doi.org/10.1016/S0021-9673(00)00269-7 https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1021/JF0002948 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1021/JF9601628 https://doi.org/10.1021/JF9909757 https://doi.org/10.21548/25-2-2143
2,3-dihydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid	18362373	Click to see COC1=C(C=CC(=C1)C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O	326.25	unknown	https://doi.org/10.1021/JF9601628
p-Coumaroyltartaric acid	129663976	Click to see C1=CC(=CC=C1C=CC(=O)C(C(C(=O)O)O)(C(=O)O)O)O	296.23	unknown	https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/S0021-9673(00)00269-7 https://doi.org/10.1021/JF9601628
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(2R,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid	9796778	Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O	312.23	unknown	via CMAUP database
(2S,3R)-trans-caftaric acid	13887348	Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O	312.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/S0031-9422(99)00351-9 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
(2S,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid	642609	Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O	312.23	unknown	https://doi.org/10.1021/JF200771Y
(2S,3S)-trans-fertaric acid	641605	Click to see COC1=C(C=CC(=C1)C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	326.25	unknown	https://doi.org/10.1021/JF9601628
2-{[3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid	53398694	Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O	312.23	unknown	https://doi.org/10.1021/JF200771Y
Caftaric acid	6440397	Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O	312.23	unknown	https://doi.org/10.1021/JF9909757 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF991171U https://doi.org/10.1021/JF0009753 https://doi.org/10.1021/JF980461S https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1021/JF9601628
CID 3036737	3036737	Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O	312.23	unknown	via CMAUP database
cis-Caftaric acid	72551521	Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O	312.23	unknown	https://doi.org/10.1021/JF0009753
trans-Fertaric acid	72551457	Click to see COC1=C(C=CC(=C1)C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	326.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/JF980461S https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
(2S,3R)-2-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid	101742956	Click to see C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	296.23	unknown	via CMAUP database
(2S,3S)-2-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid	101916176	Click to see C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	296.23	unknown	https://doi.org/10.1021/JF991171U https://doi.org/10.1021/JF0009753
2-O-(4-Hydroxy-trans-cinnamoyl)mesotartaric acid	101742957	Click to see C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	296.23	unknown	via CMAUP database
cis-Coutaric acid	102445591	Click to see C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	296.23	unknown	https://doi.org/10.1021/JF980461S https://doi.org/10.1021/JF0009753
p-Coutaric acid	10108584	Click to see C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	296.23	unknown	https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF9601628
trans-Coumaroyl tartaric acid	101109349	Click to see C1=CC=C(C(=C1)C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	296.23	unknown	https://doi.org/10.1016/S0021-9673(00)00269-7
trans-Coutaric acid	72551455	Click to see C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O	296.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/JF980461S https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
2-Hydroxycinnamic acid, (2E)-	637540	Click to see C1=CC=C(C(=C1)C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1080/13102818.2006.10817302
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid	709	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1080/0957126032000114982 https://doi.org/10.1021/JF9601628 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1365/S10337-005-0622-8
3,4-Dihydroxy cinnamic acid	2518	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/
4-Hydroxycinnamic acid	322	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1007/S002170000265 https://doi.org/10.1021/JF9909757 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1365/S10337-005-0622-8 https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1080/0957126032000114982 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1021/JF9601628
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/S0031-9422(98)00107-1 https://doi.org/10.1021/JF9601628 https://doi.org/10.1007/S002170000265 https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1021/JF9909757 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1021/JF00052A008 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1016/S0308-8146(02)00590-3
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1016/0021-9673(96)00169-0 https://doi.org/10.1365/S10337-005-0622-8 https://doi.org/10.1080/0957126032000114982 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1021/JF9601628
ortho-Hydroxycinnamic acid	11968	Click to see C1=CC=C(C(=C1)C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1016/S0308-8146(02)00590-3
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1007/S002170000265 https://doi.org/10.1021/JF9909757 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1365/S10337-005-0622-8 https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1080/0957126032000114982 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1021/JF9601628
Sinapic acid	10743	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1365/S10337-005-0622-8 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1002/JSSC.200500003
Sinapinic acid	637775	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1365/S10337-005-0622-8
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
Esculin	5281417	Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O	340.28	unknown	https://doi.org/10.1002/JSSC.200500003
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 4-hydroxycoumarins
4-Hydroxycoumarin	54682930	Click to see C1=CC=C2C(=C1)C(=CC(=O)O2)O	162.14	unknown	https://doi.org/10.1002/JSSC.200500003
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
Esculetin	5281416	Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)O	178.14	unknown	https://doi.org/10.1002/JSSC.200500003
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Scopoletin	5280460	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O	192.17	unknown	https://doi.org/10.1002/JSSC.200500003
Umbelliferone	5281426	Click to see C1=CC(=CC2=C1C=CC(=O)O2)O	162.14	unknown	https://doi.org/10.1002/JSSC.200500003
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
(2R,2'R,2''R)-2alpha,2'alpha,2''alpha-Tris(3,4-dihydroxyphenyl)-4alpha,8':4'alpha,8''-terchroman-3beta,3'beta,3''alpha,5,5',5'',7,7',7''-nonol	21676343	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
(2R,2'R,2''R)-2alpha,2'alpha,2''alpha-Tris(3,4-dihydroxyphenyl)-4alpha,8':4'beta,6''-terchroman-3beta,3'alpha,3''beta,5,5',5'',7,7',7''-nonol	101935154	Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol	5320711	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://doi.org/10.1016/S0031-9422(00)95213-0 https://doi.org/10.1081/JLC-120008754 https://doi.org/10.1021/JF990665O https://doi.org/10.1021/JF970468U https://doi.org/10.1021/JF970753D https://doi.org/10.1016/S0031-9422(00)94532-1 https://doi.org/10.1021/JF00074A022 https://doi.org/10.1021/JF0009753 https://doi.org/10.1515/ZNC-1999-1114 https://doi.org/10.1016/S0021-9673(99)00281-2
(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol	11649946	Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
[Epicatechin-(4beta-8)]2-epicatechin-3-O-gallate	163184566	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O	1018.90	unknown	https://doi.org/10.1021/JF00022A013
1-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-8-oxoniatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-3-yl]ethanone	102313791	Click to see CC(=O)C1=CC2=C(C(=[O+]C3=C2C(=CC(=C3)O)O1)C4=CC(=C(C(=C4)OC)O)OC)OC5C(C(C(C(O5)CO)O)O)O	559.50	unknown	via CMAUP database
2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol	360757	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://doi.org/10.1021/JF061155E
3,3'-Digalloylprocyanidin B2	124016	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O	882.70	unknown	via CMAUP database
8-[5-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one	162865148	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C5C(=C(C=C4O)O)C(=O)CC(O5)C6=CC(=C(C=C6)O)O	558.50	unknown	https://doi.org/10.1016/0040-4039(96)00909-4
Arecatannin A1	13752000	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
Arecatannin B1	14237657	Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3-gallate	12795889	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O	730.60	unknown	https://doi.org/10.1016/S0031-9422(02)00149-8
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-catechin	14309769	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=C(C(=C4)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin	10865804	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=C(C(=C4)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
Epicatechin-(4beta->8)-epicatechin-(4beta->8)-catechin 3''-gallate	101607200	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O	1018.90	unknown	via CMAUP database
Epicatechin-(4beta-8)-epicatechin-(4beta-6)-epicatechin	14237653	Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
Proanthocyanidin	108065	Click to see COC1=C(C=C(C=C1O)C2C(CC3=C(O2)C(=C(C=C3O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)O	592.50	unknown	https://doi.org/10.1016/S0308-8146(97)00128-3 https://doi.org/10.1007/S002990050116 https://doi.org/10.1021/JF990029Q
Procyanidin B1	11250133	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1016/S0963-9969(00)00070-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.21548/25-2-2143
procyanidin B1 3-O-gallate	12795888	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O	730.60	unknown	via CMAUP database
procyanidin B1 3'-O-gallate	72193635	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O	730.60	unknown	via CMAUP database
procyanidin B2 3-O-gallate	46181828	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O	730.60	unknown	https://doi.org/10.1016/S0031-9422(02)00149-8
Procyanidin B2 3'-O-gallate	15593124	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O	730.60	unknown	via CMAUP database
Procyanidin B2, (+)-	122738	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://doi.org/10.1016/S0031-9422(00)95213-0 https://doi.org/10.1081/JLC-120008754 https://doi.org/10.1021/JF990665O https://doi.org/10.1021/JF9601628 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1021/JF970468U https://doi.org/10.1021/JF970753D https://doi.org/10.1016/S0031-9422(00)94532-1 https://doi.org/10.1021/JF00074A022 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1515/ZNC-1999-1114 https://doi.org/10.1016/S0021-9673(99)00281-2 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
Procyanidin B3	146798	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://doi.org/10.1016/S0031-9422(00)95213-0 https://doi.org/10.1021/JF990665O https://doi.org/10.1021/JF9601628 https://doi.org/10.1021/JF970468U https://doi.org/10.1021/JF970753D https://doi.org/10.1016/S0031-9422(00)94532-1 https://doi.org/10.1021/JF00074A022 https://doi.org/10.1021/JF0009753 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1007/BF02262390 https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1515/ZNC-1999-1114 https://doi.org/10.1016/S0021-9673(99)00281-2 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
Procyanidin B4	147299	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1021/JF9601628
procyanidin B4 3'-O-gallate	15593123	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O	730.60	unknown	via CMAUP database
Procyanidin B5	124017	Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
Procyanidin B6	474540	Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
Procyanidin B7	13990893	Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
Procyanidin B8	474541	Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
Procyanidin C1	169853	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	https://doi.org/10.1021/JF990665O https://doi.org/10.1021/JF970468U https://doi.org/10.1016/S0031-9422(00)95213-0 https://doi.org/10.1007/BF02262390 https://doi.org/10.1016/S0021-9673(99)00281-2
Procyanidin C2	11182062	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	https://doi.org/10.1021/JF9601628
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(-)-Catechin	73160	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
(+)-4alpha-Benzylthiocatechin	13990900	Click to see C1=CC=C(C=C1)CSC2C(C(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)O)O	412.50	unknown	via CMAUP database
(+/-)-Epicatechin	255538	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1021/JF061155E
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-2-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol	122173182	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O	594.50	unknown	https://doi.org/10.1007/S002990050116 https://doi.org/10.1021/JF990029Q https://doi.org/10.1016/S0308-8146(97)00128-3
(2R,3S,4R)-4-benzylsulfanyl-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol	13990901	Click to see C1=CC=C(C=C1)CSC2C(C(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)O)O	412.50	unknown	via CMAUP database
(4S)-4beta,6alpha-Bis(3,4-dihydroxyphenyl)-7beta,9-dihydroxy-2,3,4,6,7,8-hexahydro-1,5-dioxaphenanthrene-2-one	10366587	Click to see C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O	452.40	unknown	https://doi.org/10.1021/JF200771Y
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol	1203	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1007/S002990050116 https://doi.org/10.1023/B:CONC.0000003414.46129.15
2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one	496377	Click to see C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O	452.40	unknown	https://doi.org/10.1021/JF200771Y
4b-(2-Aminoethylthio)catechin	17860344	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)O)O)O	365.40	unknown	https://doi.org/10.1021/JF010368V
4beta-(2-Aminoethylthio)-epicatechin	10939749	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)O)O)O	365.40	unknown	https://doi.org/10.1021/JF010368V
4beta-(2-Aminoethylthio)catechin	11187672	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)O)O)O	365.40	unknown	https://doi.org/10.1021/JF010368V
Cianidanol	9064	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/S0031-9422(98)00107-1 https://doi.org/10.1021/JF991171U https://doi.org/10.1021/JF9601628 https://doi.org/10.1016/S0021-9673(00)00269-7 https://doi.org/10.1016/0031-9422(96)00301-9 https://doi.org/10.1007/BF00564020 https://doi.org/10.1111/J.1755-0238.2000.TB00185.X https://doi.org/10.1007/S002170000265 https://doi.org/10.1016/S0021-9673(99)00569-5 https://doi.org/10.1016/S0031-9422(00)94532-1 https://doi.org/10.1021/JF0009347 https://doi.org/10.1093/CARCIN/BGI347 https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1081/JLC-120008754 https://doi.org/10.1021/JF990665O https://doi.org/10.1007/BF02262390 https://doi.org/10.1016/S0021-9673(99)00281-2 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4995451/ https://doi.org/10.1016/S0031-9422(97)00525-6 https://doi.org/10.1021/JF970753D https://doi.org/10.1016/S0031-9422(00)95213-0 https://doi.org/10.1021/JF9909757 https://doi.org/10.1023/B:CONC.0000003414.46129.15 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1016/S0003-2670(01)01498-2 https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1016/S0367-326X(99)00161-6 https://doi.org/10.1016/0031-9422(96)00203-8 https://doi.org/10.1207/S15327914NC402_14 https://doi.org/10.1021/JF00022A013 https://doi.org/10.1080/13102818.2006.10817302 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/S0031-9422(00)89817-9 https://doi.org/10.1021/JF0009753 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1021/JF00074A022 https://doi.org/10.1021/JF990019P https://doi.org/10.1021/JF010758H https://doi.org/10.1515/ZNC-1999-1114 https://doi.org/10.1021/JF970468U https://doi.org/10.1021/JF000316Q https://doi.org/10.1021/JF00052A008 https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1016/S0024-3205(97)00883-7 https://doi.org/10.1021/JF9912506 https://doi.org/10.1021/JF000670O
Epicatechin	72276	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1021/JF0009347 https://doi.org/10.1021/JF991171U https://doi.org/10.1016/S0031-9422(00)94532-1 https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF990019P https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1021/JF00052A008 https://doi.org/10.1515/ZNC-1999-1114 https://doi.org/10.1081/JLC-120008754 https://doi.org/10.1007/S002170000265 https://doi.org/10.1021/JF9909757 https://doi.org/10.1207/S15327914NC402_14 https://doi.org/10.1111/J.1755-0238.2000.TB00185.X https://doi.org/10.1016/0031-9422(96)00301-9 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/S0021-9673(99)00281-2 https://doi.org/10.1016/S0031-9422(98)00107-1 https://doi.org/10.1021/JF000316Q https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1016/S0031-9422(97)00525-6 https://doi.org/10.1007/BF02262390 https://doi.org/10.1016/S0031-9422(00)95213-0 https://doi.org/10.1021/JF00022A013 https://doi.org/10.1016/S0367-326X(99)00161-6 https://doi.org/10.1016/S0003-2670(01)01498-2 https://doi.org/10.1016/S0024-3205(97)00883-7 https://doi.org/10.1021/JF000670O https://doi.org/10.1016/S0963-9969(00)00070-3 https://doi.org/10.1021/JF00074A022 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1021/JF9912506 https://doi.org/10.1021/JF000026+ https://doi.org/10.1021/JF9601628 https://doi.org/10.1021/JF970753D https://doi.org/10.1021/JF970468U https://doi.org/10.1016/S0021-9673(99)00569-5 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4995451/ https://doi.org/10.1016/0031-9422(96)00203-8 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1023/B:CONC.0000003414.46129.15 https://doi.org/10.1016/S0031-9422(00)89817-9 https://doi.org/10.1021/JF0009753 https://doi.org/10.1021/JF990665O https://doi.org/10.1007/BF00564020
N-2-Naphthyl-Nicotinamidine	131750912	Click to see CC(=O)C1(C2C(C(O1)(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O)C	550.50	unknown	https://doi.org/10.1016/0040-4039(96)01761-3
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Catechin gallates
(-)-Catechin gallate	6419835	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	442.40	unknown	via CMAUP database
(-)-Epicatechin gallate	107905	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	442.40	unknown	https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1016/S0031-9422(00)95213-0 https://doi.org/10.1081/JLC-120008754 https://doi.org/10.1021/JF000670O https://doi.org/10.1021/JF00022A013 https://doi.org/10.1021/JF970753D https://doi.org/10.1021/JF000316Q https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF000026+ https://doi.org/10.1021/JF991171U https://doi.org/10.1016/S0031-9422(98)00107-1 https://doi.org/10.1023/B:CONC.0000003414.46129.15 https://doi.org/10.1016/S0031-9422(00)89817-9 https://doi.org/10.1111/J.1755-0238.2000.TB00185.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/JF9912506 https://doi.org/10.1021/JF0009347 https://doi.org/10.1016/S0031-9422(02)00149-8 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4995451/ https://doi.org/10.1207/S15327914NC402_14 https://doi.org/10.1016/0031-9422(96)00301-9 https://doi.org/10.1007/BF00564020 https://doi.org/10.1515/ZNC-1999-1114 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1016/S0367-326X(99)00161-6
(+)-Catechin gallate	5276454	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	442.40	unknown	https://doi.org/10.1021/JF000316Q
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate	367141	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	442.40	unknown	https://doi.org/10.1016/S0031-9422(02)00149-8 https://doi.org/10.1023/B:CONC.0000003414.46129.15
[4-(2-aminoethylsulfanyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate	85315715	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O	517.50	unknown	https://doi.org/10.1021/JF010368V
4beta-(2-Aminoethylthio)epicatechin 3-gallate	10919263	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O	517.50	unknown	https://doi.org/10.1021/JF010368V
Epicatechin-3-gallate	65056	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	442.40	unknown	via CMAUP database
Epigallocatechin Gallate	65064	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	458.40	unknown	https://doi.org/10.1021/JF000316Q https://doi.org/10.1021/JF000026+ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/0031-9422(96)00301-9 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
Gallocatechin gallate	5276890	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	458.40	unknown	https://doi.org/10.1021/JF000316Q
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
(-)-Gallocatechin	9882981	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	https://doi.org/10.1007/BF00564020 https://doi.org/10.1023/B:CONC.0000003414.46129.15
(2R,3S,4S)-4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol	93477121	Click to see C1=CC=C(C=C1)CSC2C(C(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)O)O)O)O	428.50	unknown	via CMAUP database
5-Hydroxycastavinol	102002905	Click to see CC(=O)C1(C2C(C(O1)(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)OC)O)O)OC5C(C(C(C(O5)CO)O)O)O)C	566.50	unknown	https://doi.org/10.1016/0040-4039(96)01761-3
5'-Methoxycastavinol	131750913	Click to see CC(=O)C1(C2C(C(O1)(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)OC)O)OC)OC5C(C(C(C(O5)CO)O)O)O)C	580.50	unknown	https://doi.org/10.1016/0040-4039(96)01761-3
Epigallocatechin	72277	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/JF991171U https://doi.org/10.1021/JF000026+ https://doi.org/10.1021/JF000316Q
Flavan-3,3',4',5,5',7-hexol	1249	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	https://doi.org/10.1023/B:CONC.0000003414.46129.15
Gallocatechin	65084	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	https://doi.org/10.1021/JF000316Q https://doi.org/10.1021/JF000026+ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/0031-9422(96)00301-9 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one	932	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	https://doi.org/10.1002/JSSC.200500003
Naringenin	439246	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	https://doi.org/10.1002/JSSC.200500003
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
(-)-Epitaxifolin	712318	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	via CMAUP database
(+)-Epitaxifolin	443758	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin	5280443	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	270.24	unknown	https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/J.JFCA.2003.09.010
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Isorhamnetin	5281654	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	316.26	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1021/JF9909757 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1007/BF02257318
Kaempferol	5280863	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1007/BF00564021 https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1021/JF9909757 https://doi.org/10.1007/S002160100898 https://doi.org/10.1007/BF02257318
Myricetin	5281672	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O	318.23	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1007/S002160100898 https://doi.org/10.1021/JF9909757 https://doi.org/10.1021/JF00052A008 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1021/JF00032A015 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1007/BF02257318
Quercetin	5280343	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	302.23	unknown	https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF9601628 https://doi.org/10.1007/BF00564820 https://doi.org/10.1016/S0963-9969(00)00174-5 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1080/13102818.2006.10817302 https://doi.org/10.1021/JF00052A008 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1016/S0021-9673(99)01225-X https://doi.org/10.1016/S0021-9673(01)00913-X https://doi.org/10.1007/S002160100898 https://doi.org/10.1007/BF02257318 https://doi.org/10.1021/JF9909757 https://doi.org/10.1002/JSSC.200500003
Rhamnetin	5281691	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O	316.26	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanidin 3-O-p-coumaroyl glycosides / Anthocyanidin 3-O-6-p-coumaroyl glycosides
[(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate	91417365	Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	595.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	10165328	Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	493.40	unknown	via CMAUP database
(2S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	44256715	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	449.40	unknown	https://doi.org/10.1111/J.1755-0238.1995.TB00080.X https://doi.org/10.1021/JF030278L https://doi.org/10.1016/S0031-9422(99)00068-0 https://doi.org/10.1007/BF02632209 https://doi.org/10.1021/JF0002948 https://doi.org/10.1021/JF00056A027
[(2R,3R,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate	163189819	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)OC)O)O)O)O)O	505.40	unknown	https://doi.org/10.1021/JF00056A027
[(2R,3R,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate	163194611	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)OC)O)O)O)O)O	535.50	unknown	https://doi.org/10.1021/JF00056A027
1-[11-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-8-oxoniatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-3-yl]ethanone	102313792	Click to see CC(=O)C1=CC2=C(C(=[O+]C3=C2C(=CC(=C3)O)O1)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O	529.50	unknown	via CMAUP database
1-Benzopyrylium,3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-	13915667	Click to see C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	465.40	unknown	https://doi.org/10.1002/JSFA.1885
Cyanidin 3-(6''-acetylglucoside)	15714477	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O	491.40	unknown	https://doi.org/10.1002/JSSC.200401822
Cyanidin 3-O-xyloside	87948385	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(O4)CO)O)O)O)O)O)O	419.40	unknown	https://doi.org/10.1002/JSFA.1885
Delphinidin 3-(acetylglucoside)	15385440	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O	507.40	unknown	https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030 https://doi.org/10.21548/25-2-2143
Delphinidin 3-O-glucoside cation	443650	Click to see C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	465.40	unknown	https://doi.org/10.1021/JF0346612 https://doi.org/10.1016/J.JFCA.2004.02.010 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030 https://doi.org/10.1021/JF00056A027 https://doi.org/10.1002/JSFA.1885
Keracyanin cation	441674	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O	595.50	unknown	https://doi.org/10.1002/JSFA.1885
Kuromanin	441667	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	449.40	unknown	https://doi.org/10.1021/JF00056A027 https://doi.org/10.1080/09571260120095030 https://doi.org/10.1016/J.JFCA.2004.02.010 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.21548/25-2-2143
Malvidin 3-(6-acetylglucoside)	74977116	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)OC)O)O)O)O)O	535.50	unknown	https://doi.org/10.1021/JF0346612 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030 https://doi.org/10.21548/25-2-2143
Malvidin 3-O-beta-D-glucopyranoside	44256977	Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	493.40	unknown	https://doi.org/10.1093/CLINCHEM/43.6.1092 https://doi.org/10.1021/JF0002948 https://doi.org/10.1021/JF00044A005 https://doi.org/10.1016/S0031-9422(99)00068-0 https://doi.org/10.1016/S0024-3205(97)00883-7
Malvidin 3-O-beta-D-glucoside	443652	Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	493.40	unknown	https://doi.org/10.1021/JF0346612 https://doi.org/10.1016/J.JFCA.2004.02.010 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF00052A008 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030 https://doi.org/10.1021/JF030278L https://doi.org/10.1016/S0963-9969(00)00070-3
peonidin 3-O-(6-O-acetyl-beta-D-glucoside)	72193652	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)OC)O)O)O)O)O	505.40	unknown	https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030 https://doi.org/10.21548/25-2-2143
Peonidin-3-galactoside	11454027	Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O	463.40	unknown	https://doi.org/10.1002/JSFA.1885
Peonidin-3-glucoside	443654	Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O	463.40	unknown	https://doi.org/10.1080/09571260120095030 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1021/JF0346612 https://doi.org/10.1016/J.JFCA.2004.02.010
Petunidin 3-galactoside	14311149	Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	479.40	unknown	https://doi.org/10.1002/JSFA.1885
Petunidin 3-glucoside	443651	Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	479.40	unknown	https://doi.org/10.1021/JF0346612 https://doi.org/10.1016/J.JFCA.2004.02.010 https://doi.org/10.21548/25-2-2143 https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030 https://doi.org/10.1021/JF00056A027
Petunidin 3-O-(6''-acetyl-glucoside)	101922116	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)O)O)O)O)O)O	521.40	unknown	https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030 https://doi.org/10.21548/25-2-2143
Petunidin 3-sambubioside	44256968	Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O)O)O	611.50	unknown	via CMAUP database
Primulin	3568969	Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	493.40	unknown	https://doi.org/10.1021/JF00056A027
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
(3S,4S,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol	44256888	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O	627.50	unknown	https://doi.org/10.1021/JF030278L https://doi.org/10.1021/JF00056A027
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[6-O-[3-(4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyloxy]-7-hydroxy-10-[2alpha-(3,4-dihydroxyphenyl)-3alpha,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,4-(epoxyetheno)-1-benzopyrylium	102051216	Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)OC8C(C(C(C(O8)COC(=O)C=CC9=CC=C(C=C9)O)O)O)O	951.90	unknown	via CMAUP database
2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[6-O-[3-(4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyloxy]-7-hydroxy-10-[2alpha-(3,4-dihydroxyphenyl)-3beta,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,4-(epoxyetheno)-1-benzopyrylium	102051215	Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)OC8C(C(C(C(O8)COC(=O)C=CC9=CC=C(C=C9)O)O)O)O	951.90	unknown	via CMAUP database
Malvidin 3-(6''-p-coumarylglucoside)	72193651	Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O	639.60	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,6,8-tris(3,4,5-trihydroxyoxan-2-yl)chromen-4-one	74977448	Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)C5C(C(C(CO5)O)O)O)C6C(C(C(CO6)O)O)O)O)O)O)O	666.60	unknown	https://doi.org/10.1002/JSSC.200401822 https://doi.org/10.1080/09571260120095030
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides
(2S,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	44259219	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1055/S-0031-1297117 https://doi.org/10.1016/S0021-9673(00)00269-7 https://doi.org/10.1021/JF0002948
Myricetin 3-glucuronide	44259442	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O	494.40	unknown	https://doi.org/10.1021/JF991171U
Quercetin 3-glucuronide	12004528	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1021/JF991171U https://doi.org/10.1021/JF802863G https://doi.org/10.1021/JF9601628
Quercetin 3-O-xylosyl-glucuronide	157009733	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)OC5C(C(C(O5)CO)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1002/JSFA.1885
Querciturone	5274585	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/JF802863G
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
Phlorizin	6072	Click to see C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O	436.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/
Trilobatin	6451798	Click to see C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O	436.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one	46173911	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	450.40	unknown	via CMAUP database
[3-(4-hydroxy-3,5-dimethoxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium	102376056	Click to see CC1=CC2=C3C(=CC(=[OH+])C=C3OC(=C2OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O1	531.50	unknown	via CMAUP database
[7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium	101422850	Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O	805.70	unknown	via CMAUP database
2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	74978320	Click to see COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O	494.40	unknown	https://doi.org/10.1021/JF802863G
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	51402807	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1021/JF991171U https://doi.org/10.1021/JF0002948 https://doi.org/10.1055/S-0031-1297117 https://doi.org/10.1007/BF00564820 https://doi.org/10.1007/BF00564021
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	5378597	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1021/JA01137A038
4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-,(2R,3R)-	122173240	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O	434.40	unknown	https://doi.org/10.1021/JF991171U
5-[2alpha-(3,4-Dihydroxyphenyl)-3alpha,5,7-trihydroxychroman-8-yl]-2-(3,5-dimethoxy-4-hydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-8-hydroxy-2-dehydro-2H-pyrano[4,3,2-de]-1-benzopyran-1-ium	101422846	Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O	805.70	unknown	via CMAUP database
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	14524434	Click to see COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O	508.40	unknown	https://doi.org/10.1021/JF802863G
Astilbin	119258	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	450.40	unknown	https://doi.org/10.1021/JF991171U https://doi.org/10.1016/0031-9422(86)80078-4 https://doi.org/10.1016/S0003-2670(01)01498-2
Astragalin	5282102	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1021/JF991171U https://doi.org/10.1021/JF9601628 https://doi.org/10.1007/BF00564021
delphinidin 3-O-beta-D-glucoside betaine	165559	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=O)C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O	464.40	unknown	https://doi.org/10.1111/J.1755-0238.1995.TB00080.X
Dihydromyricetin 3-rhamnoside	3754658	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O	466.40	unknown	https://doi.org/10.1016/S0003-2670(01)01498-2
Engeletin	6453452	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O	434.40	unknown	https://doi.org/10.1016/0031-9422(86)80078-4
Guaijaverin	5481224	Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	434.30	unknown	https://doi.org/10.1002/JSSC.200500003
Hyperoside	5281643	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1002/JSFA.1885
Isoastilbin	316844	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	450.40	unknown	https://doi.org/10.1021/JF991171U https://doi.org/10.1016/0031-9422(86)80078-4
Isoengelitin	12309470	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O	434.40	unknown	https://doi.org/10.1016/0031-9422(86)80078-4
Isoquercetin	5280804	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1007/S11306-014-0638-X https://doi.org/10.1021/JA01137A038 https://doi.org/10.1021/JF9601628
isorhamnetin 3-O-glucoside	5318645	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	478.40	unknown	https://doi.org/10.1021/JF9601628 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
Laricitrin 3-O-glucoside	101682256	Click to see COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O	494.40	unknown	https://doi.org/10.1021/JF802863G
Malvidin 3-O-arabinoside	25079994	Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(CO4)O)O)O)O)O	463.40	unknown	https://doi.org/10.1002/JSFA.1885
Myricetin 3-beta-D-glucopyranoside	12311099	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O	480.40	unknown	https://doi.org/10.1021/JF802863G
Myricetin 3-galactoside	5491408	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O	480.40	unknown	https://doi.org/10.1021/JF802863G
myricetin 3-O-beta-D-glucopyranoside	5318606	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O	480.40	unknown	https://doi.org/10.1021/JF991171U
Myricitrin	5281673	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O	464.40	unknown	https://doi.org/10.1002/JSFA.1885
quercetin 3-O-alpha-L-fucopyranoside	5359430	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.21548/25-2-2143 https://doi.org/10.1016/S0021-9673(01)00598-2
Quercetin 3-O-rhamnoside	5353915	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.21548/25-2-2143
Quercitrin	5280459	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0021-9673(99)01225-X https://doi.org/10.1007/BF00564820
Rutin	5280805	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1021/JF9601628 https://doi.org/10.1007/BF00564820 https://doi.org/10.1007/BF00564021 https://doi.org/10.1016/S0021-9673(99)01225-X https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1080/13102818.2006.10817302 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/JF0009753 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1021/JF00052A008 https://doi.org/10.1016/S0021-9673(01)00913-X
Syringetin-3-o-glucoside	5321577	Click to see COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O	508.40	unknown	https://doi.org/10.1021/JF802863G
Vitamin P	5293655	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1021/JF00052A008 https://doi.org/10.1002/JSFA.1885 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0021-9673(01)00913-X https://doi.org/10.1021/JF9601628
Vitisin B (vitis vinifera)	44195285	Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC=C3)OC5C(C(C(C(O5)CO)O)O)O	517.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
Naringin	442428	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	https://doi.org/10.1002/JSSC.200500003
Prunin	92794	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O	434.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Hydroxyflavonoids / 7-hydroxyflavonoids
(2S,3S)-2-(3,4-dihydroxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol	44445800	Click to see CC1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O	288.29	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
Hesperetin	72281	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O	302.28	unknown	https://doi.org/10.1002/JSSC.200500003
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
3,7-Di-O-methylquercetin	5280417	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O	330.29	unknown	https://doi.org/10.1002/JSSC.200500003
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
Biochanin A	5280373	Click to see COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O	284.26	unknown	https://doi.org/10.1002/JSSC.200500003
> Phenylpropanoids and polyketides / Macrolides and analogues
(3Z,5E,15Z,24Z)-20-[(Z)-but-1-enyl]-18-hydroxy-9-methoxy-3,6,19,24-tetramethyl-7-methylidene-21,26-dioxa-16-azabicyclo[13.10.3]octacosa-3,5,15(28),24-tetraene-17,22,27-trione	119080538	Click to see CCC=CC1C(C(C(=O)NC2=CC(=O)OC(CC(=CC=C(C(=C)CC(CCCCC2)OC)C)C)C=C(CC(=O)O1)C)O)C	597.80	unknown	https://doi.org/10.1021/JF0346612 https://doi.org/10.21548/25-2-2143
> Phenylpropanoids and polyketides / Phenylpropanoic acids
3-Phenylpropionic acid	107	Click to see C1=CC=C(C=C1)CCC(=O)O	150.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359246/
> Phenylpropanoids and polyketides / Stilbenes
(+)-Viniferether B	101769425	Click to see COC(C1C(C(C2=C1C=C(C=C2O)O)C3=CC(=CC(=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O	486.50	unknown	via CMAUP database
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol	60151313	Click to see C1=CC(=CC=C1C2C(C(C3=C2C(=CC(=C3)O)O)C(C4=CC=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O	472.50	unknown	via CMAUP database
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol	60151314	Click to see C1=CC(=CC=C1C2C(C(C3=C2C(=CC(=C3)O)O)C(C4=CC=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O	472.50	unknown	via CMAUP database
(1S,2S,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(R)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol	162410435	Click to see COC(C1C(C(C2=C1C=C(C=C2O)O)C3=CC(=CC(=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O	486.50	unknown	https://doi.org/10.3987/COM-05-10515
(1S,2S,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(S)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol	162914511	Click to see COC(C1C(C(C2=C1C=C(C=C2O)O)C3=CC(=CC(=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O	486.50	unknown	https://doi.org/10.3987/COM-05-10515
(1Z,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol	101062858	Click to see C1=CC(=CC=C1C=C2C(C(C3=C2C=C(C=C3O)O)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O	454.50	unknown	https://doi.org/10.3987/COM-00-8912
1-[(1R,2R,3R)-3-(3,5-Dihydroxy-phenyl)-4,6-dihydroxy-2-(4-hydroxy-phenyl)-indan-1-yl]-1-(4-hydroxy-phenyl)-methanone	484753	Click to see C1=CC(=CC=C1C2C(C3=C(C2C(=O)C4=CC=C(C=C4)O)C=C(C=C3O)O)C5=CC(=CC(=C5)O)O)O	470.50	unknown	via CMAUP database
1,3-Benzenediol, 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-	5056	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O	228.24	unknown	https://doi.org/10.1021/JF00050A003 https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1007/S002160100898 https://doi.org/10.1021/JF020774U https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1016/0021-9673(95)00368-W https://doi.org/10.1021/JF9909757 https://doi.org/10.1016/J.FOODCHEM.2004.01.028 https://doi.org/10.1021/JF102578U https://doi.org/10.1021/JF950807O https://doi.org/10.1016/S0003-2670(01)01498-2 https://doi.org/10.1021/JF0112973 https://doi.org/10.1021/JF050122G https://doi.org/10.1016/0021-9673(94)85245-6 https://doi.org/10.1016/J.FOODCHEM.2004.08.034 https://doi.org/10.1021/JF0011079 https://doi.org/10.1021/JF981211E https://doi.org/10.1021/JF9900884 https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1021/JF049521M https://doi.org/10.1007/S002170000265 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1016/S0021-9673(01)00913-X https://doi.org/10.1016/S0963-9969(00)00174-5 https://doi.org/10.1081/JLC-100100434 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1080/09571260120069750 https://doi.org/10.1016/S0378-8741(99)00044-6
2,4,4'-Trihydroxy-trans-stilbene	10130775	Click to see C1=CC(=CC=C1C=CC2=C(C=C(C=C2)O)O)O	228.24	unknown	via CMAUP database
3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol	76445550	Click to see COC(C1C(C(C2=C1C=C(C=C2O)O)C3=CC(=CC(=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O	486.50	unknown	https://doi.org/10.3987/COM-05-10515
4-[2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,2-diol	4813	Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O	244.24	unknown	https://doi.org/10.1207/S15327914NC402_14 https://doi.org/10.1021/JF050122G
4-[2-(3,5-Dimethoxyphenyl)ethenyl]phenol	160517	Click to see COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC	256.30	unknown	https://doi.org/10.1016/S0031-9422(00)91470-5 https://doi.org/10.1007/S00709-011-0335-9 https://doi.org/10.1016/S0981-9428(03)00124-4
5-Styrylresorcinol	100754	Click to see C1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O	212.24	unknown	https://doi.org/10.1002/JSSC.200500003
cis-Pterostilbene	5320791	Click to see COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC	256.30	unknown	https://doi.org/10.1021/JF030227O
cis-Resveratrol	1548910	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O	228.24	unknown	https://doi.org/10.1207/S15327914NC402_14 https://doi.org/10.1016/S0031-9422(02)00149-8 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1021/JF00050A003 https://doi.org/10.1271/BBB.61.1800 https://doi.org/10.1021/AC970582B https://doi.org/10.1021/JF0002948 https://doi.org/10.1021/JF030227O https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.5650/JOS.50.895 https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1021/JF970669Y https://doi.org/10.1021/JF010812U https://doi.org/10.1016/S0024-3205(97)00883-7 https://doi.org/10.1021/JF981024G https://doi.org/10.1016/S0021-9673(99)01225-X
Piceatannol	667639	Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O	244.24	unknown	https://doi.org/10.1021/JF061155E https://doi.org/10.1016/S0024-3205(97)00883-7 https://doi.org/10.1021/JF050122G https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/
Pinosylvin	5280457	Click to see C1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O	212.24	unknown	https://doi.org/10.1002/JSSC.200500003
Pterostilbene	5281727	Click to see COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC	256.30	unknown	https://doi.org/10.1021/AC970582B https://doi.org/10.1021/JF030227O https://doi.org/10.1021/JF0009910 https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1016/S0031-9422(00)91470-5 https://doi.org/10.1016/S0378-8741(99)00044-6 https://doi.org/10.1016/0021-9673(94)85245-6
Resveratrol	445154	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O	228.24	unknown	https://doi.org/10.1021/JF00050A003 https://doi.org/10.1016/S0021-9673(01)00598-2 https://doi.org/10.1016/S0024-3205(97)00883-7 https://doi.org/10.1021/JF970669Y https://doi.org/10.1021/JF000745O https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1007/S002160100898 https://doi.org/10.1021/JF020774U https://doi.org/10.1016/S0308-8146(02)00590-3 https://doi.org/10.1016/0021-9673(95)00368-W https://doi.org/10.1021/JF9909757 https://doi.org/10.1271/BBB.61.1800 https://doi.org/10.1016/J.FOODCHEM.2004.01.028 https://doi.org/10.1021/JF102578U https://doi.org/10.1021/JF950807O https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1021/JF981024G https://doi.org/10.1016/0048-4059(76)90077-1 https://doi.org/10.5650/JOS.50.895 https://doi.org/10.1016/S0003-2670(01)01498-2 https://doi.org/10.1021/JF0112973 https://doi.org/10.1021/JF050122G https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/0021-9673(94)85245-6 https://doi.org/10.1016/J.FOODCHEM.2004.08.034 https://doi.org/10.1021/JF0011079 https://doi.org/10.1021/JF981211E https://doi.org/10.1021/JF9900884 https://doi.org/10.1093/CLINCHEM/43.6.1092 https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1021/JF049521M https://doi.org/10.1007/S002170000265 https://doi.org/10.1002/JSSC.200500003 https://doi.org/10.1021/JF061155E https://doi.org/10.1016/S0021-9673(99)01225-X https://doi.org/10.1021/JF0002948 https://doi.org/10.1016/S0021-9673(01)00913-X https://doi.org/10.1021/JF030227O https://doi.org/10.1021/JF950274J https://doi.org/10.1016/S0963-9969(00)00174-5 https://doi.org/10.1081/JLC-100100434 https://doi.org/10.1021/AC970582B https://doi.org/10.1016/S0003-2670(97)00668-5 https://doi.org/10.1016/J.JFCA.2003.09.010 https://doi.org/10.1021/JF010672O https://doi.org/10.1080/09571260120069750 https://doi.org/10.1207/S15327914NC402_14 https://doi.org/10.1016/S0378-8741(99)00044-6
> Phenylpropanoids and polyketides / Stilbenes / Stilbene glycosides
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol	16040019	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	552.50	unknown	https://doi.org/10.1055/S-2005-871294
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol	10030502	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O	552.50	unknown	https://doi.org/10.1016/S0031-9422(02)00149-8 https://doi.org/10.1055/S-2005-871294
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol	16040018	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O	552.50	unknown	https://doi.org/10.1016/S0031-9422(02)00149-8 https://doi.org/10.1055/S-2005-871294
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	73642	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	390.40	unknown	via CMAUP database
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	16039986	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O	390.40	unknown	via CMAUP database
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-[3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	16040017	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O	714.70	unknown	https://doi.org/10.1055/S-2005-871294
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[4-[(Z)-2-[3-hydroxy-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol	162919590	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O	552.50	unknown	https://doi.org/10.1016/S0031-9422(02)00149-8
(2S,4S,5S)-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	163187438	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	390.40	unknown	https://doi.org/10.1021/JF9507654
2-(Hydroxymethyl)-6-[3-[2-(4-hydroxyphenyl)ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol	73223748	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	552.50	unknown	https://doi.org/10.1055/S-2005-871294
2-[3-Hydroxy-5-[2-(4-hydroxyphenyl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol	393787	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	390.40	unknown	https://doi.org/10.1021/NP990239X https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1021/NP9704819 https://doi.org/10.3109/09637486.2013.832172 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3634843/ https://doi.org/10.1055/S-2005-871294
2-[4-[2-(3,5-Dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	72727112	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O	390.40	unknown	https://doi.org/10.1021/NP990239X https://doi.org/10.1021/NP9704819
2-[4-[2-[3,5-Bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	73223784	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O	714.70	unknown	https://doi.org/10.1055/S-2005-871294
2-{3-[2-(3,4-Dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol	5089891	Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O	406.40	unknown	https://doi.org/10.1021/NP990239X https://doi.org/10.1021/NP9704819
3,5-Bis(beta-D-glucopyranosyloxy)-4'-hydroxystilbene	16038898	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	552.50	unknown	https://doi.org/10.1055/S-2005-871294
Astringin	5281712	Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O	406.40	unknown	https://doi.org/10.1021/NP9605450 https://doi.org/10.1207/S15327914NC402_14 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1093/CLINCHEM/43.6.1092 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1021/JF9900884 https://doi.org/10.1016/S0024-3205(97)00883-7 https://doi.org/10.1021/NP9704819 https://doi.org/10.1016/S0003-2670(01)01498-2 https://doi.org/10.1021/NP990239X
cis-Astringin	16040016	Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O	406.40	unknown	https://doi.org/10.1021/NP990239X https://doi.org/10.1021/NP9704819
cis-Piceid	10178463	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	390.40	unknown	https://doi.org/10.1021/NP9605450 https://doi.org/10.1207/S15327914NC402_14 https://doi.org/10.1021/JF000745O https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1093/CLINCHEM/43.6.1092 https://doi.org/10.1021/JF00050A003 https://doi.org/10.1271/BBB.61.1800 https://doi.org/10.1021/JF030227O https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1016/S0024-3205(97)00883-7 https://doi.org/10.1055/S-2005-871294 https://doi.org/10.1021/NP9704819 https://doi.org/10.1021/JF981024G https://doi.org/10.1021/NP990239X
Polydatin	5281718	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	390.40	unknown	https://doi.org/10.1016/0031-9422(96)00203-8 https://doi.org/10.1021/JF049521M https://doi.org/10.1016/S0003-2670(01)01498-2 https://doi.org/10.1016/J.FOODCHEM.2005.02.007 https://doi.org/10.1021/JF00050A003 https://doi.org/10.1021/JF9909757 https://doi.org/10.1016/S0981-9428(03)00124-4 https://doi.org/10.1021/JF0002948 https://doi.org/10.1021/JF000745O https://doi.org/10.1016/S0024-3205(97)00883-7 https://doi.org/10.1016/S0963-9969(00)00174-5 https://doi.org/10.1021/JF030227O https://doi.org/10.1021/JF9900884 https://doi.org/10.1055/S-2005-871294 https://doi.org/10.1021/JF050122G https://doi.org/10.1021/JF9507654 https://doi.org/10.1021/AC970582B https://doi.org/10.1016/0031-9422(94)85102-6 https://doi.org/10.1093/CLINCHEM/43.6.1092 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1271/BBB.61.1800 https://doi.org/10.1207/S15327914NC402_14 https://doi.org/10.1016/0021-9673(95)00368-W https://doi.org/10.1021/NP990239X https://doi.org/10.1021/JF0112973 https://doi.org/10.1021/JF981024G https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://doi.org/10.1021/NP9704819
Resveratroloside	5322089	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O	390.40	unknown	https://doi.org/10.1021/NP990239X https://doi.org/10.1021/NP9704819
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
Ellagic Acid	5281855	Click to see C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O	302.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502274/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802899/ https://doi.org/10.1016/S0021-9673(01)91487-6 https://doi.org/10.1016/0021-9673(96)00169-0

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Vitis vinifera

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