Scientific name	Authority	First published in
Salvia grandiflora	Ten.	Fl. Neapol. Prodr. App. 5 : 3 (1826)
Salvia hispanica	Garsault	Fig. Pl. Méd. : t. 510 b (1764)
Salvia minor	Garsault	Fig. Pl. Méd. : t. 511 a (1764)

Common names Top

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Filter by language:

Language	Common/alternative name
English	sage
English	common sage
English	kitchen sage
Spanish	mermasangre
Spanish	te indigena
Spanish	te indígena
Afrikaans	salie
Arabic	مريمية
Arabic	أشفاقش (سالمة)
Arabic	خرنة
Arabic	قصعين مخزني
Arabic	مريمية مخزنية
Arabic	تفاح الشاهي
Arabic	شاهي درنة
Arabic	شاي الجبل
Azerbaijani	dərman sürvəsi
Azerbaijani	dərman adaçayı
azb	قارا یارپاق
Belarusian	дужэц
Belarusian	шалвея
Belarusian	шалфей
Belarusian	шальва
Belarusian	шальвея
Belarusian	шальвія
Belarusian	шалфей аптэчны
Bulgarian	градински чай
Bosnian	Žalfija
Bosnian	kadulja
Catalan	sauge officinale
Catalan	sàlvia
Czech	šalvěj lékařská
Welsh	saets
Danish	læge-salvie
German	echter salbei
German	heilsalbei
German	garten-salbei
German	küchensalbei
German	sauge officinale
German	salbei
Greek	Φασκόμηλο
Esperanto	oficina salvio
Estonian	aedsalvei
Persian	مریم گلی
Persian	مریمگلی
Finnish	ryytisalvia
French	sauge
French	sauge officinale
French	thé d'europe
frr	echt salwei
Irish	sáiste
Hebrew	מרווה
Croatian	kadulja
Croatian	Žalfija
Upper Sorbian	dobra želbija
Hungarian	orvosi zsálya
io	salvio
Italian	erba moscatella
Japanese	サルビア・オフィキナリス
Japanese	サルビア・オフィシナリス
Japanese	ヤクヨウサルビア
Japanese	セージ
Kabyle	bu tanzarin
Kazakh	Дәрілік шалфей
Korean	세이지
Cornish	sawja
lb	zalfei
lb	salbei
Lithuanian	sauge officinale
Lithuanian	vaistinis šalavijas
Latvian	ārstniecības salvija
Macedonian	обична жалфија
Norwegian Bokmål	kryddersalvie
Norwegian Bokmål	purpursalvie
Norwegian Bokmål	tesalvie
Dutch	echte salie
Dutch	franse salie
Dutch	tuinsalie
Dutch	saliemelk
oc	sàlvia
oc	sauvi
oc	sauvia
os	Лæсыф
os	Мыдгæрдæг
Polish	szałwia lekarska
Pashto	مريم گلي
Portuguese	salva-comum
Quechua	q'oa
Quechua	q'owa
Quechua	qoa
Quechua	qowa
Quechua	quwa
Quechua	q'uwa
Romanian	salvie
Russian	Шалфей лекарственный
Yakutian	Шалфей
Serbo-Croatian	Žalfija
Serbo-Croatian	kadulja
Slovak	šalvia lekárska
Slovak	Šalvia lekárska
Slovenian	navadni žajbelj
Slovenian	Žajbelj
Slovenian	žajbelj
Albanian	sherebela
Serbian	Калопер
Serbian	zalfija
Serbian	Кадуља
Serbian	Калавер
Serbian	Жалфија
Swedish	läkesalvia
Swedish	sauge officinale
Swedish	kryddsalvia
Turkish	tıbbi ada çayı
Turkish	ada çayı
Ukrainian	Шавлія лікарська
Urdu	مریم گلی
Vietnamese	xô thơm
Walloon	franke saedje
Chinese	丹参
Chinese	撒尔维亚
Chinese	药鼠尾草
Chinese	鼠尾草
Chinese	庭園鼠尾草
Chinese	廚房鼠尾草
Chinese	撒爾維亞
Chinese	药用鼠尾草
Chinese	藥用鼠尾草
Chinese	達爾馬希亞鼠尾草
Chinese	天蓝鼠尾草

Subspecies (abbr. subsp./ssp.) Top

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Name	Authority	First published in
Salvia officinalis subsp. gallica	(W.Lippert) Reales, D.Rivera & Obón	Bot. J. Linn. Soc. 145: 365 (2004)
Salvia officinalis subsp. lavandulifolia	(Vahl) Gams	Ill. Fl. Mitt.-Eur. 5(4): 2482 (1927)
Salvia officinalis subsp. multiflora	Gajić	Glasn. Prir. Muz. Beogradu, C 7: 49 (1973)
Salvia officinalis subsp. officinalis		Unknown
Salvia officinalis subsp. oxyodon	(Webb & Heldr.) Reales, D.Rivera & Obón	Bot. J. Linn. Soc. 145: 365 (2004)

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

Suggest a correction or add new data!

Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Macaronesia
  - Azores
  - Canary Islands
- Northern Africa
  - Algeria
  - Libya
  - Morocco
  - Tunisia

Asia-temperate click to expand
- Caucasus
  - Transcaucasus
- Eastern Asia
  - Korea

Europe click to expand
- Eastern Europe
  - South European Russia
  - Ukraine
- Middle Europe
  - Austria
  - Czechoslovakia
  - Germany
  - Switzerland
- Southeastern Europe
  - Albania
  - Bulgaria
  - Greece
  - Italy
  - Romania
  - Sicilia
  - Turkey-in-Europe
  - Yugoslavia
- Southwestern Europe
  - Baleares
  - France
  - Portugal
  - Sardegna
  - Spain

Northern America click to expand
- Eastern Canada
  - Ontario
  - Québec
- Northeastern U.S.A.
  - Connecticut
  - Maine
  - Michigan
  - New York
  - Ohio
  - Pennsylvania
  - Rhode Island
  - Vermont
  - West Virginia
- Northwestern U.S.A.
  - Idaho
  - Oregon
  - Washington
- Southeastern U.S.A.
  - Alabama
  - Georgia
  - Kentucky
  - Maryland
  - Tennessee
  - Virginia
- Southwestern U.S.A.
  - California
  - Utah

Southern America click to expand
- Southern South America
  - Uruguay

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000301765
UNII	M9C36LC10E
Flora of Alabama	2460
Canadensys	6447
USDA Plants	SAOF2
Tropicos	17600600
INPN	120678
Flora of Italy	11572
KEW	urn:lsid:ipni.org:names:456833-1
The Plant List	kew-183353
Plantarium	33522
Missouri Botanical Garden	281464
Open Tree Of Life	820645
Observations.org	7402
NCBI Taxonomy	38868
NBN Atlas	NBNSYS0000014371
Nature Serve	2.138803
IUCN Red List	203260
IPNI	456833-1
iNaturalist	51738
GBIF	2927004
Freebase	/m/027_l3
EPPO	SALOF
EOL	578478
Elurikkus	7049
Calflora (Californian flora)	10346
US Library of Congress	sh85116476
USDA GRIN	32950
Wikipedia	Salvia_officinalis
CMAUP	NPO6098

Genomes (via NCBI) Top

No reference genome is available on NCBI yet. We are constantly monitoring for new data.

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

Impact of silver nanoparticles on secondary metabolite composition and toxicity in anise (Pimpinella anisum L.) callus culture

Ulusoy E, Bozkurt A, Durmaz S, Servi H, Vardar F, Erisen S

BMC Plant Biol

04-May-2024

PMCID:	PMC11069286
doi:	10.1186/s12870-024-05067-8
PMID:	38702604

Thymol, a Monoterpenoid within Polymeric Iodophor Formulations and Their Antimicrobial Activities

Edis Z, Bloukh SH

Int J Mol Sci

01-May-2024

PMCID:	PMC11084924
doi:	10.3390/ijms25094949
PMID:	38732168

Natural products for managing metabolic syndrome: a scoping review

Abdulghani MF, Al-Fayyadh S

Front Pharmacol

30-Apr-2024

PMCID:	PMC11091304
doi:	10.3389/fphar.2024.1366946
PMID:	38746011

Assessing the virucidal activity of essential oils against feline calicivirus, a non-enveloped virus used as surrogate of norovirus

Lanave G, Catella C, Catalano A, Lucente MS, Pellegrini F, Fracchiolla G, Diakoudi G, Palmisani J, Trombetta CM, Martella V, Camero M

Heliyon

29-Apr-2024

PMCID:	PMC11070907
doi:	10.1016/j.heliyon.2024.e30492
PMID:	38711631

Systematic Review of Chemical Compounds with Immunomodulatory Action Isolated from African Medicinal Plants

Nikiema WA, Ouédraogo M, Ouédraogo WP, Fofana S, Ouédraogo BH, Delma TE, Amadé B, Abdoulaye GM, Sawadogo AS, Ouédraogo R, Semde R

Molecules

26-Apr-2024

PMCID:	PMC11085867
doi:	10.3390/molecules29092010
PMID:	38731500

Sandalwood Oils of Different Origins Are Active In Vitro against Madurella mycetomatis, the Major Fungal Pathogen Responsible for Eumycetoma

Abd Algaffar SO, Seegers S, Satyal P, Setzer WN, Schmidt TJ, Khalid SA

Molecules

18-Apr-2024

PMCID:	PMC11055130
doi:	10.3390/molecules29081846
PMID:	38675665

Mitigating digestive disorders: Action mechanisms of Mediterranean herbal active compounds

Kmail A

Open Life Sci

18-Apr-2024

PMCID:	PMC11032100
doi:	10.1515/biol-2022-0857

Functional Characterization of PmDXR, a Critical Rate-Limiting Enzyme, for Turpentine Biosynthesis in Masson Pine (Pinus massoniana Lamb.)

Li R, Zhu L, Chen P, Chen Y, Hao Q, Zhu P, Ji K

Int J Mol Sci

17-Apr-2024

PMCID:	PMC11050515
doi:	10.3390/ijms25084415
PMID:	38673998

Potential of Wormwood and Oak Bark-Based Supplement in Health Improvement of Nosema ceranae-Infected Honey Bees

Glavinic U, Jovanovic NM, Dominikovic N, Lakic N, Ćosić M, Stevanovic J, Stanimirovic Z

Animals (Basel)

16-Apr-2024

PMCID:	PMC11047348
doi:	10.3390/ani14081195
PMID:	38672343

Unraveling potential neuroprotective mechanisms of herbal medicine for Alzheimer’s diseases through comprehensive molecular docking analyses

Alsenani F

Saudi J Biol Sci

15-Apr-2024

PMCID:	PMC11053229
doi:	10.1016/j.sjbs.2024.103998
PMID:	38681227

Ethnobotanical survey on herbal remedies for the management of type 2 diabetes in the Casablanca-Settat region, Morocco

Arraji M, Al Wachami N, Boumendil K, Chebabe M, Mochhoury L, Laamiri FZ, Barkaoui M, Chahboune M

BMC Complement Med Ther

15-Apr-2024

PMCID:	PMC11017650
doi:	10.1186/s12906-024-04468-4
PMID:	38622669

Inhibition and Mechanism of Protein Nonenzymatic Glycation by Lactobacillus fermentum

Li Q, Xiao K, Yi C, Yu F, Wang W, Rao J, Liu M, Zhang L, Mu Y, Wang C, Wu Q, Li D, Zhou M

Foods

12-Apr-2024

PMCID:	PMC11049071
doi:	10.3390/foods13081183
PMID:	38672858

Bioactive and biodegradable cotton fabrics produced via synergic effect of plant extracts and essential oils in chitosan coating system

Szadkowski B, Śliwka-Kaszyńska M, Marzec A

Sci Rep

12-Apr-2024

PMCID:	PMC11014983
doi:	10.1038/s41598-024-59105-4
PMID:	38609489

Comprehensive Insights into Ochratoxin A: Occurrence, Analysis, and Control Strategies

Ben Miri Y, Benabdallah A, Chentir I, Djenane D, Luvisi A, De Bellis L

Foods

12-Apr-2024

PMCID:	PMC11049263
doi:	10.3390/foods13081184
PMID:	38672856

Wild Edible Plants Used in Dalmatian Zagora (Croatia)

Ninčević Runjić T, Jug-Dujaković M, Runjić M, Łuczaj Ł

Plants (Basel)

11-Apr-2024

PMCID:	PMC11053949
doi:	10.3390/plants13081079
PMID:	38674488

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
> Benzenoids / Anthracenes / Anthraquinones
Physcione	10639	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC	284.26	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
Cladofulvin	71434670	Click to see CC1=CC2=C(C(=C1C3=C4C(=C(C=C3C)O)C(=O)C5=C(C4=O)C=CC(=C5O)O)O)C(=O)C6=C(C2=O)C=CC(=C6O)O	538.50	unknown	https://doi.org/10.1016/0003-9861(92)90173-T
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Dimethyl anthranilate	6826	Click to see CNC1=CC=CC=C1C(=O)OC	165.19	unknown	via CMAUP database
> 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/10.1002/CBDV.201100219
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	https://doi.org/10.1002/CBDV.201100219 https://doi.org/10.1021/JF990761P https://doi.org/10.1016/S0031-9422(01)00415-0
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	unknown	https://doi.org/10.1021/JF040083T https://doi.org/10.1016/J.CHROMA.2007.01.090
> 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/10.1002/CBDV.201100219 https://doi.org/10.1007/S00216-007-1298-8
> 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/S0031-9422(01)00415-0
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	via CMAUP database
> 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	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropenes
1-Methyl-4-(prop-1-en-2-yl)benzene	62385	Click to see CC1=CC=C(C=C1)C(=C)C	132.20	unknown	via CMAUP database
alpha,3-Dimethylstyrene	70759	Click to see CC1=CC(=CC=C1)C(=C)C	132.20	unknown	via CMAUP database
o-Isopropenyltoluene	81886	Click to see CC1=CC=CC=C1C(=C)C	132.20	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpyruvic acid derivatives
(2R)-2-[(E)-3-[4-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	101014455	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O)O	538.50	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-[(Z)-1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]oxypropanoic acid	101014456	Click to see COC(=O)C(=CC1=CC(=C(C=C1)O)O)OC2=C(C=C(C=C2)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O	552.50	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
(2S)-2-[(E)-3-[4-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	71812203	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O)O	538.50	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
(2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-[(Z)-1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]oxypropanoic acid	163194054	Click to see COC(=O)C(=CC1=CC(=C(C=C1)O)O)OC2=C(C=C(C=C2)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O	552.50	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
2-[3-[4-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid	85148929	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O)O	538.50	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
3-(3,4-Dihydroxyphenyl)-2-[3-[4-[1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyloxy]propanoic acid	85117129	Click to see COC(=O)C(=CC1=CC(=C(C=C1)O)O)OC2=C(C=C(C=C2)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O	552.50	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
Melitric acid A	10459878	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O)O	538.50	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
Salvianolic acid I	162890634	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O)O	538.50	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
> Benzenoids / Naphthalenes / Phenylnaphthalenes
(2S)-2-[(1R,2S)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	163036128	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O	718.60	unknown	https://doi.org/10.1016/S0040-4039(01)01738-5
(2S)-2-[(1S,2R)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	154497411	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O	718.60	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
Salvianolic Acid L	11765414	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O	718.60	unknown	https://doi.org/10.1016/S0040-4039(01)01738-5
> Benzenoids / Phenanthrenes and derivatives
(1R,5aR,9aS)-10,11-dihydroxy-1,6,6,9a-tetramethyl-4,5,5a,7,8,9-hexahydro-1H-naphtho[1,2-g][2]benzofuran-3-one	163050332	Click to see CC1C2=C(C(=C3C(=C2C(=O)O1)CCC4C3(CCCC4(C)C)C)O)O	330.40	unknown	https://doi.org/10.1002/CBER.19620951229
10,11-dihydroxy-1,6,6,9a-tetramethyl-4,5,5a,7,8,9-hexahydro-1H-naphtho[1,2-g][2]benzofuran-3-one	12314276	Click to see CC1C2=C(C(=C3C(=C2C(=O)O1)CCC4C3(CCCC4(C)C)C)O)O	330.40	unknown	https://doi.org/10.1002/CBER.19620951229
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
(-)-Synephrine	854067	Click to see CNCC(C1=CC=C(C=C1)O)O	167.20	unknown	via CMAUP database
> Benzenoids / Phenols / 4-alkoxyphenols
4-(3-Methyl-2-butenoxy)phenol	11435274	Click to see CC(=CCOC1=CC=C(C=C1)O)C	178.23	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
2-Isopropyl-1,4-hexadiene	6429324	Click to see CC=CCC(=C)C(C)C	124.22	unknown	https://doi.org/10.1002/JLAC.19646760122
6-Methyl-5-methylidenehept-2-ene	53999360	Click to see CC=CCC(=C)C(C)C	124.22	unknown	https://doi.org/10.1002/JLAC.19646760122
gamma-Terpinene	7461	Click to see CC1=CCC(=CC1)C(C)C	136.23	unknown	https://doi.org/10.1021/NP50033A002 https://doi.org/10.1016/S0031-9422(00)84802-5
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
6-Hexadecen-4-yne, (E)-	5367338	Click to see CCCCCCCCCC=CC#CCCC	220.39	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatetraenes
12-Methyl-1,5,9,11-tridecatetraene	564371	Click to see CC(=CC=CCCC=CCCC=C)C	190.32	unknown	via CMAUP database
> Lignans, neolignans and related compounds
(2R,3R)-2-[4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid	10482829	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(C(C3=CC(=C(C=C3)O)O)O)C(=O)O)O)O)O	556.50	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1016/S0031-9422(98)00730-4
(2R,3S)-2-[4-[(E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid	163190096	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(C(C3=CC(=C(C=C3)O)O)O)C(=O)O)O)O)O	556.50	unknown	https://doi.org/10.1016/S0031-9422(98)00730-4
2-[4-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid	85155225	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(C(C3=CC(=C(C=C3)O)O)O)C(=O)O)O)O)O	556.50	unknown	https://doi.org/10.1016/S0031-9422(98)00730-4
> Lignans, neolignans and related compounds / Cyclobutane lignans
(2S)-2-[(1R,2R,3R,4R)-2-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-3,4-bis(3,4-dihydroxyphenyl)cyclobutanecarbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	160944642	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(C2C(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)C4=CC(=C(C=C4)O)O)C5=CC(=C(C=C5)O)O)O)O	720.60	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
(2S)-2-[(1R,2R,3R,4R)-2-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-3,4-bis(3,4-dihydroxyphenyl)cyclobutanecarbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	162896425	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(C2C(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)C4=CC(=C(C=C4)O)O)C5=CC(=C(C=C5)O)O)O)O	720.60	unknown	https://doi.org/10.1016/S0031-9422(98)00730-4
Sagerinic acid	23760102	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(C2C(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)C4=CC(=C(C=C4)O)O)C5=CC(=C(C=C5)O)O)O)O	720.60	unknown	https://doi.org/10.1016/S0031-9422(98)00730-4
> Lignans, neolignans and related compounds / Lignan glycosides
(-)-Isolariciresinol 9'-O-glucoside	44560003	Click to see COC1=C(C=C2C(C(C(CC2=C1)CO)COC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)O	522.50	unknown	https://doi.org/10.1021/JF980614B
1-Hydroxypinoresinol 1-O-glucoside	13995449	Click to see COC1=C(C=CC(=C1)C2C3COC(C3(CO2)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)OC)O	536.50	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1021/JF980614B
8-Hydroxypinoresinol 8-glucoside	13995448	Click to see COC1=C(C=CC(=C1)C2C3COC(C3(CO2)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)OC)O	536.50	unknown	https://doi.org/10.1021/JF980614B
Isolariciresinol 9'-O-beta-D-glucoside	74191750	Click to see COC1=C(C=C2C(C(C(CC2=C1)CO)COC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)O	522.50	unknown	https://doi.org/10.1021/JF980614B
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Arachidic Acid	10467	Click to see CCCCCCCCCCCCCCCCCCCC(=O)O	312.50	unknown	via CMAUP database
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	via CMAUP database
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Isoketocamphoric acid	157009760	Click to see CC(=O)C(C)(C)C(CC(=O)O)CC(=O)O	216.23	unknown	https://doi.org/10.1016/0003-9861(92)90173-T
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Hexacosanoic acid	10469	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	396.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(6R,9S)-3-Oxo-alpha-ionol glucoside	73815024	Click to see CC1=CC(=O)CC(C1C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	370.40	unknown	https://doi.org/10.1021/JF980160I
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S)-2,3,4-trihydroxy-3-methylbutoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	163185230	Click to see CC(CO)(C(COC1C(C(C(C(O1)COC(=O)C=CC2=CC(=C(C=C2)O)OC)O)O)O)O)O	474.50	unknown	https://doi.org/10.1021/JF990761P
[3,4,5-Trihydroxy-6-(2,3,4-trihydroxy-3-methylbutoxy)oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	76062030	Click to see CC(CO)(C(COC1C(C(C(C(O1)COC(=O)C=CC2=CC(=C(C=C2)O)OC)O)O)O)O)O	474.50	unknown	https://doi.org/10.1021/JF990761P
3Eec4Q65S4	21630888	Click to see CC1=CC(=O)CC(C1C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	370.40	unknown	https://doi.org/10.1021/JF980160I
ethyl 2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate	162875212	Click to see CCOC(=O)CC1CCC(=O)C1CC=CCCOC2C(C(C(C(O2)CO)O)O)O	416.50	unknown	https://doi.org/10.1021/JF990761P
Ethyl 2-[3-oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate	162875211	Click to see CCOC(=O)CC1CCC(=O)C1CC=CCCOC2C(C(C(C(O2)CO)O)O)O	416.50	unknown	https://doi.org/10.1021/JF990761P
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Decyl acetate	8167	Click to see CCCCCCCCCCOC(=O)C	200.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Octanol	957	Click to see CCCCCCCCO	130.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives / Jasmonic acids
(-)-12-Hydroxyjasmonic acid	69604805	Click to see C1CC(=O)C(C1CC(=O)O)CC=CCCO	226.27	unknown	https://doi.org/10.1021/JF990761P
2-[(1S,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid	133554268	Click to see C1CC(=O)C(C1CC(=O)O)CC=CCCO	226.27	unknown	https://doi.org/10.1021/JF990761P
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(1R,8R,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yltetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one	125181923	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3CC(=O)C24C3C(CCC4)(C)C)O)O)O	344.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
(4aR,10aS)-5,6-diacetyloxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid	13966132	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)OC(=O)C)OC(=O)C	416.50	unknown	https://doi.org/10.1002/HLCA.19640470517
(4aS,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid	92341932	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O	332.40	unknown	https://doi.org/10.1007/BF00565233
1-Hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione	275526	Click to see CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2)(C)C)C)O	316.40	unknown	https://doi.org/10.1111/J.1742-7843.2004.PTO940605.X
12-Methoxycarnosic acid	133554352	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC	346.50	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
12-O-Methylcarnosic acid	9974918	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC	346.50	unknown	https://doi.org/10.1135/CCCC19931919 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3670146/ https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1007/BF00565233
5-[[4-acetyloxy-1-(2-acetyloxypropan-2-yl)-3a-methyl-10-methylidene-9-oxo-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-6-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid	162850477	Click to see CC(=O)OC1C=C(CCC(=O)C(=C)CCC2C1(CCC2C(C)(C)OC(=O)C)C)COC(=O)CC(C)(CC(=O)O)O	564.70	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
5-Hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid	74191744	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC	346.50	unknown	https://doi.org/10.1135/CCCC19931919 https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1007/BF00565233
5,6-Diacetyloxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid	13966131	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)OC(=O)C)OC(=O)C	416.50	unknown	https://doi.org/10.1002/HLCA.19640470517
Carnosaldehyde	71712255	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C=O)O)O	316.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3670146/
Carnosic acid	65126	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O	332.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3670146/ https://doi.org/10.1016/J.FOODCHEM.2006.01.033 https://doi.org/10.1021/JF010697N https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/S0031-9422(97)00151-9 https://doi.org/10.1016/0021-9673(94)80582-2
Carnosicacid	5024746	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O	332.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1007/BF00565233 https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/S0031-9422(97)00151-9
Manool	3034394	Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C	290.50	unknown	https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<231::AID-FFJ572>3.0.CO;2-0 https://doi.org/10.1016/S0031-9422(97)00151-9 https://doi.org/10.2298/JSC0301017V https://doi.org/10.1016/0031-9422(92)80497-3
Methyl 11,12-bis(acetyloxy)abieta-9(11),8(14),12-trien-20-oate	11877519	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)OC(=O)C)OC(=O)C	430.50	unknown	https://doi.org/10.1016/S0305-1978(02)00165-5 https://doi.org/10.1016/S0031-9422(97)00151-9 https://doi.org/10.1021/JF00039A012
Methyl 5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate	10427743	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)O)O	346.50	unknown	https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/S0031-9422(97)00151-9
Methyl Carnosate	11336941	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)O)O	346.50	unknown	https://doi.org/10.1016/S0031-9422(97)00151-9 https://doi.org/10.1021/JF00039A012
Royleanone	442084	Click to see CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2)(C)C)C)O	316.40	unknown	https://doi.org/10.1111/J.1742-7843.2004.PTO940605.X
Sageone	6481824	Click to see CC(C)C1=C(C(=C2C(=C1)CCC3=C2C(=O)CCC3(C)C)O)O	300.40	unknown	https://doi.org/10.1016/S0031-9422(97)00151-9 https://doi.org/10.1016/S0305-1978(02)00165-5 https://doi.org/10.1016/S0031-9422(00)94798-8
Taxoquinone	99965	Click to see CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C)O	332.40	unknown	https://doi.org/10.1111/J.1742-7843.2004.PTO940605.X
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tanshinones, isotanshinones, and derivatives
Miltirone	160142	Click to see CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O	282.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
> Lipids and lipid-like molecules / Prenol lipids / Hopanoids
(3R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,9-diol	101281371	Click to see CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CC(C5C4(CCC5C(C)(C)O)C)O)C)C)C	460.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(R)-(+)-Citronellal	75427	Click to see CC(CCC=C(C)C)CC=O	154.25	unknown	via CMAUP database
(Z)-alpha-ocimene	5463455	Click to see CC(=C)CCC=C(C)C=C	136.23	unknown	via CMAUP database
beta-CITRONELLOL, (R)-	101977	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	via CMAUP database
beta-OCIMENE, (3E)-	5281553	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
beta-Ocimene, (3Z)-	5320250	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
Citral	638011	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	via CMAUP database
Linalool, (-)-	443158	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	via CMAUP database
Linalool, (+/-)-	6549	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754
Linalyl acetate	8294	Click to see CC(=CCCC(C)(C=C)OC(=O)C)C	196.29	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1016/S0031-9422(00)84802-5
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1016/S0021-9673(00)00231-4 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754
Neral	643779	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	via CMAUP database
Nerol	643820	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
Carvacrol	10364	Click to see CC1=C(C=C(C=C1)C(C)C)O	150.22	unknown	via CMAUP database
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754
Thymol	6989	Click to see CC1=CC(=C(C=C1)C(C)C)O	150.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-alpha-Pinene	440968	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1006/ABBI.1994.1069 https://doi.org/10.1006/ABBI.1994.1068
(-)-beta-Pinene	440967	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1006/ABBI.1994.1069 https://doi.org/10.1006/ABBI.1994.1068
(-)-Camphene	440966	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	https://doi.org/10.1006/ABBI.1994.1069 https://doi.org/10.1006/ABBI.1994.1068
(+)-2-Carene	78249	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1006/ABBI.1994.1069 https://doi.org/10.1006/ABBI.1994.1068
(+)-beta-Pinene	10290825	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1006/ABBI.1994.1069 https://doi.org/10.1006/ABBI.1994.1068
(+)-Camphene	92221	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	https://doi.org/10.1006/ABBI.1994.1068 https://doi.org/10.1006/ABBI.1994.1069
(+)-Isoborneol	6973640	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1021/NP50033A020
(+)-trans-Sabinene hydrate	11228920	Click to see CC(C)C12CCC(C1C2)(C)O	154.25	unknown	via CMAUP database
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene	6451618	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1021/NP50033A020 https://doi.org/10.1080/10412905.1989.9697754
(1S,2R,5R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol	11744854	Click to see CC(C)C12CCC(C1C2)(C)O	154.25	unknown	via CMAUP database
(1S,2S,3R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol	21626089	Click to see CC1(C2CCC1(C(C2O)O)C)C	170.25	unknown	via CMAUP database
(1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol	12314318	Click to see CC1(C2CC1C(=C)C(C2)O)C	152.23	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol	64685	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754 https://doi.org/10.1021/NP50044A023 https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1016/0003-9861(90)90593-N
3-Thujanone	11027	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	https://doi.org/10.1080/10412905.1989.9697754 https://doi.org/10.1021/NP50044A023 https://doi.org/10.1021/NP50033A020 https://doi.org/10.1055/S-2006-961694 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1016/S0021-9673(00)00231-4 https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<231::AID-FFJ572>3.0.CO;2-0 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.2000.9712048
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1055/S-0028-1084935 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1055/S-2006-960081 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1064245/ https://doi.org/10.1021/NP50044A023 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1016/S0031-9422(00)95146-X https://doi.org/10.1080/10412905.1989.9697754
alpha-THUJENE, (+/-)-	12444324	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	via CMAUP database
alpha-Thujone	12304613	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<231::AID-FFJ572>3.0.CO;2-0
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1064245/ https://doi.org/10.1021/NP50044A023 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754
beta-Thujone	91456	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	https://doi.org/10.1080/10412905.1989.9697754 https://doi.org/10.1021/NP50044A023 https://doi.org/10.1021/NP50033A020 https://doi.org/10.1055/S-2006-961694 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1016/S0021-9673(00)00231-4 https://doi.org/10.1055/S-0028-1084935 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.2000.9712048
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-	17868	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1080/10412905.1989.9697754
Bornane-2,6-dione	382555	Click to see CC1(C2CC(=O)C1(C(=O)C2)C)C	166.22	unknown	https://doi.org/10.1016/0003-9861(92)90173-T
Borneol	6552009	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1016/0003-9861(90)90593-N
Bornyl acetate	6448	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1080/10412905.1989.9697754 https://doi.org/10.1016/S0021-9673(00)00231-4
Camphene	6616	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	https://doi.org/10.1006/ABBI.1994.1069 https://doi.org/10.1006/ABBI.1994.1068 https://doi.org/10.1021/NP50033A020 https://doi.org/10.1055/S-0028-1084935 https://doi.org/10.1016/S0021-9673(00)00231-4 https://doi.org/10.1021/NP50033A002 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1064245/ https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754
Camphor	2537	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	https://doi.org/10.1055/S-0028-1084935 https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1055/S-2006-961694 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC160644/ https://doi.org/10.1021/NP50044A023 https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1016/0003-9861(90)90593-N https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1064245/ https://doi.org/10.1080/10412905.2000.9712048
Camphor (synthetic)	159055	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	https://doi.org/10.1016/0003-9861(87)90346-8
CID 44630107	44630107	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754 https://doi.org/10.1021/NP50044A023
Myrtenol	10582	Click to see CC1(C2CC=C(C1C2)CO)C	152.23	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
Sabinen	18818	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754
Sabinene	10887971	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	https://doi.org/10.1016/0003-9861(87)90436-X
Thujone	261491	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	https://doi.org/10.1080/10412905.1989.9697754 https://doi.org/10.1021/NP50044A023 https://doi.org/10.1021/NP50033A020 https://doi.org/10.1055/S-2006-961694 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1055/S-0028-1084935 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.2000.9712048
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
2-[(1R,3S)-3-hydroxy-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid	163056253	Click to see CC1(C(CC(=O)C1(C)O)CC(=O)O)C	200.23	unknown	https://doi.org/10.1016/0003-9861(92)90173-T
2-[(1S,3R)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid	90658047	Click to see CC1C(=O)CC(C1(C)C)CC(=O)O	184.23	unknown	https://doi.org/10.1016/0003-9861(92)90173-T
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-trans-Carveol	94221	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+)-alpha-Phellandrene	443160	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
(+)-alpha-Terpineol	442501	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	via CMAUP database
(+)-Perillaldehyde	1548901	Click to see CC(=C)C1CCC(=CC1)C=O	150.22	unknown	via CMAUP database
(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one	10888107	Click to see CC1=CCC(CC1=O)C(C)C	152.23	unknown	via CMAUP database
(R)-(+)-4-Isopropylcyclohex-1-ene-1-carboxaldehyde	12305140	Click to see CC(C)C1CCC(=CC1)C=O	152.23	unknown	via CMAUP database
2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enyl acetate	11333027	Click to see CC1=CCC(CC1)C(=C)COC(=O)C	194.27	unknown	via CMAUP database
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-	12618691	Click to see CC(=C)C1CCC(C=C1)(C)O	152.23	unknown	via CMAUP database
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-	6951358	Click to see CC1=CCC(CC1OC(=O)C)C(=C)C	194.27	unknown	via CMAUP database
4-Terpineol, (+/-)-	11230	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754
alpha-Terpinene	7462	Click to see CC1=CC=C(CC1)C(C)C	136.23	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1016/S0031-9422(00)84802-5
Carvone, (-)-	439570	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	unknown	via CMAUP database
Limonene, (+)-	440917	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	https://doi.org/10.1021/NP50033A020 https://doi.org/10.1021/NP50033A002 https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1016/S0031-9422(00)95146-X https://doi.org/10.1080/10412905.1989.9697754
Terpinolene	11463	Click to see CC1=CCC(=C(C)C)CC1	136.23	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
trans-1(7),8-p-Menthadien-2-ol	6428442	Click to see CC(=C)C1CCC(=C)C(C1)O	152.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-beta-Bourbonene	324224	Click to see CC(C)C1CCC2(C1C3C2CCC3=C)C	204.35	unknown	https://doi.org/10.1016/S0021-9673(00)00231-4 https://doi.org/10.1016/S0031-9422(00)84802-5
(+)-delta-Cadinene	441005	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
(+)-Gamma-cadinene	6432404	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene	92042749	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1016/S0021-9673(00)00231-4
(Z,Z)-alpha-Farnesene	5317320	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	204.35	unknown	via CMAUP database
alpha-Cadinol	10398656	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
alpha-Muurolene	12306047	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
alpha-Sinensal	5281534	Click to see CC(=CCC=C(C)C=C)CCC=C(C)C=O	218.33	unknown	via CMAUP database
beta-Bourbonene	62566	Click to see CC(C)C1CCC2(C1C3C2CCC3=C)C	204.35	unknown	https://doi.org/10.1016/S0021-9673(00)00231-4
beta-CARYOPHYLLENE OXIDE	1742210	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	https://doi.org/10.1080/10412905.1989.9697754
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1021/NP50033A002 https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<231::AID-FFJ572>3.0.CO;2-0 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754
Caryophyllene epoxide	14350	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	https://doi.org/10.1080/10412905.1989.9697754
Copaene	19725	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1016/S0021-9673(00)00231-4
delta-Cadinol	3084311	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
Humulene	5281520	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1021/NP50033A002 https://doi.org/10.1016/S0031-9422(00)84802-5 https://doi.org/10.1080/10412905.1989.9697754 https://doi.org/10.1055/S-2006-960081
trans,trans-Farnesol	445070	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	unknown	via CMAUP database
Valeranone	171455	Click to see CC(C)C1CCC2(CCCC(=O)C2(C1)C)C	222.37	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(1aS,4aS,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol	97032059	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
Alloaromadendren	91746537	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1080/10412905.1989.9697754
Ledum camphor	22297324	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
Viridiflorol	11996452	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1016/S0021-9673(00)00231-4 https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<231::AID-FFJ572>3.0.CO;2-0
Viridiflorol (incomplete stereochemistry)	94174	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1016/S0021-9673(00)00231-4 https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<231::AID-FFJ572>3.0.CO;2-0
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
1,7-di-epi-alpha-Cedrene	10878276	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
alpha-Selinene	10856614	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
Selin-11-en-4-ol	6428433	Click to see CC(=C)C1CCC2(CCCC(C2C1)(C)O)C	222.37	unknown	https://doi.org/10.1016/S0031-9422(00)84802-5
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
(1R,4S,8R,10R,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione	12041561	Click to see CC1=CC(=O)C2(C1C3=C(C2=O)C45CCCC(C4C(C3O)OC5=O)(C)C)C(C)C	384.50	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
(1R,4S,8R,10S,11R,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione	11003529	Click to see CC1=CC(=O)C2(C1C3=C(C2=O)C45CCCC(C4C(C3O)OC5=O)(C)C)C(C)C	384.50	unknown	via CMAUP database
(1R,4S,8R,10S,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione	636540	Click to see CC1=CC(=O)C2(C1C3=C(C2=O)C45CCCC(C4C(C3O)OC5=O)(C)C)C(C)C	384.50	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide	73880583	Click to see CC1=CC(=O)C2(C1C3=C(C2=O)C45CCCC(C4C(C3O)OC5=O)(C)C)C(C)C	384.50	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
(1R,8S,9S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one	455261	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O)O	346.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1021/JF010697N https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3670146/ https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/S0031-9422(97)00151-9
(1R,9S,10S)-4-hydroxy-3-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-8,15-dione	163033760	Click to see CC(C)C1=C(C(=C2C(=C1)C(=O)C3C4C2(CCCC4(C)C)C(=O)O3)OC)O	358.40	unknown	https://doi.org/10.1007/BF01161344
(1R)-3,4-Dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one	2579	Click to see CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O	330.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1248/BPB.30.287 https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/J.FITOTE.2009.05.015 https://doi.org/10.1016/S0031-9422(97)00151-9
12-Methoxy-5,5-dimethyl-11-propan-2-yl-14-oxatetracyclo[7.6.1.01,6.013,16]hexadeca-9,11,13(16)-trien-15-one	495414	Click to see CC(C)C1=C(C2=C3C(=C1)CCC4C3(CCCC4(C)C)C(=O)O2)OC	328.40	unknown	https://doi.org/10.1016/0031-9422(92)80497-3
2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-9,10-dimethoxy-1,1-dimethyl-7-(1-methylethyl)-, [4aR-(4aalpha,9alpha,10alpha,10abeta)]-	101713461	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3(C4C2(CCCC4(C)C)C(=O)O3)OC)OC)O)O	390.50	unknown	https://doi.org/10.1016/S0031-9422(97)00151-9
2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6,9-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9R,10S,10aS)-	23243694	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O)O	346.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1016/S0031-9422(97)00151-9 https://doi.org/10.1021/JF00039A012
3-Hydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,5,7-triene-4,15-dione	74975865	Click to see CC(C)C1=CC2=CC3C4C(CCCC4(C2=C(C1=O)O)C(=O)O3)(C)C	328.40	unknown	https://doi.org/10.1016/S0031-9422(97)00151-9
3,4,8-Trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one	9884612	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O)O	346.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/S0031-9422(97)00151-9
3,4,9-Trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one	11996616	Click to see CC(C)C1=C(C(=C2C(=C1)C3C(C4C2(CCCC4(C)C)C(=O)O3)O)O)O	346.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1016/S0031-9422(97)00151-9
4-Hydroxy-3-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-8,15-dione	163033759	Click to see CC(C)C1=C(C(=C2C(=C1)C(=O)C3C4C2(CCCC4(C)C)C(=O)O3)OC)O	358.40	unknown	https://doi.org/10.1007/BF01161344
6,7-Dimethoxy-7-epirosmanol	131751086	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3(C4C2(CCCC4(C)C)C(=O)O3)OC)OC)O)O	390.50	unknown	https://doi.org/10.1016/S0031-9422(97)00151-9
6beta,20-Epoxy-11,12-dihydroxyabieta-8,11,13-triene-7,20-dione	13966126	Click to see CC(C)C1=C(C(=C2C(=C1)C(=O)C3C4C2(CCCC4(C)C)C(=O)O3)O)O	344.40	unknown	https://doi.org/10.1055/S-2003-37712
7-Ethoxyrosmanol	23243693	Click to see CCOC1C2C3C(CCCC3(C4=C(C(=C(C=C14)C(C)C)O)O)C(=O)O2)(C)C	374.50	unknown	https://doi.org/10.1007/BF02662161
7-Methylrosmanol	9950773	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)OC)O)O	360.40	unknown	https://doi.org/10.1055/S-2003-37712 https://doi.org/10.1016/S0031-9422(97)00151-9
7-O-Methylrosmanol	23243692	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)OC)O)O	360.40	unknown	https://doi.org/10.1055/S-2003-37712 https://doi.org/10.1016/S0031-9422(97)00151-9
Carnosic acid gamma-lactone 12-methyl ether	15775314	Click to see CC(C)C1=C(C2=C3C(=C1)CCC4C3(CCCC4(C)C)C(=O)O2)OC	328.40	unknown	https://doi.org/10.1016/0031-9422(92)80497-3
Carnosol	442009	Click to see CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O	330.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3670146/ https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1016/J.FITOTE.2009.05.015 https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/S0031-9422(97)00151-9 https://doi.org/10.1248/BPB.30.287 https://doi.org/10.1016/S0378-8741(00)00396-2
Columbaridione	131752806	Click to see CC(C)C1=C(C2=C(C(=O)C1=O)C34CCCC(C3CC2OC4=O)(C)C)O	344.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
Galdosol	13966127	Click to see CC(C)C1=C(C(=C2C(=C1)C(=O)C3C4C2(CCCC4(C)C)C(=O)O3)O)O	344.40	unknown	https://doi.org/10.1055/S-2003-37712
Isorosmanol	13820511	Click to see CC(C)C1=C(C(=C2C(=C1)C3C(C4C2(CCCC4(C)C)C(=O)O3)O)O)O	346.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1016/S0031-9422(97)00151-9
Rosmanol	13966122	Click to see CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O)O	346.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3670146/ https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/S0031-9422(97)00151-9
sagequinone methide A	44254444	Click to see CC(C)C1=CC2=CC3C4C(CCCC4(C2=C(C1=O)O)C(=O)O3)(C)C	328.40	unknown	https://doi.org/10.1016/S0031-9422(97)00151-9
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
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	via CMAUP database
Asymmetrical zeta-carotene/Asym. zeta-carotene/7,8,11,12-Tetrahydrolycopene	16061252	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C	540.90	unknown	via CMAUP database
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	via CMAUP database
epsilon,psi-Carotene, (6R)-	5281230	Click to see CC1=CCCC(C1C=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	via CMAUP database
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	via CMAUP database
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	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol	23258402	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)O)O)(C)C)O)C)C	602.90	unknown	via CMAUP database
(1S,3S,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol	101341894	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	via CMAUP database
(3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide	23256985	Click to see CC1=C(C(CCC1)(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	568.90	unknown	via CMAUP database
(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
(8a(2)R)-Neochrome	14034169	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=C=C3C(CC(CC3(C)O)O)(C)C	600.90	unknown	via CMAUP database
all-trans-Neoxanthin	5281247	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
beta-Cryptoxathin-5',6'-epoxide	21587177	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(CCCC2(O3)C)(C)C)C)C	568.90	unknown	via CMAUP database
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	via CMAUP database
Rubixanthin	5281252	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C	552.90	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	via CMAUP database
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	via CMAUP database
Zeinoxanthin	5281234	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(=CCCC2(C)C)C)C)C	552.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(3E,5E,7E,9E,11E,13E,15E,17E,19E)-20-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one	101306769	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C)C)C	472.70	unknown	via CMAUP database
3-Epioleanolic acid	11869658	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/10.1002/JPS.2600500804
3-Hydroxyolean-12-en-28-oic acid	619166	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/10.1248/BPB.30.287
Apocarotenal	5478003	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C	416.60	unknown	via CMAUP database
beta-Citraurin	9845703	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C	432.60	unknown	via CMAUP database
beta-Citraurinene	90429320	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C)C)C	418.70	unknown	via CMAUP database
beta-Ursolic acid	220774	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	456.70	unknown	https://doi.org/10.1002/ARDP.19512840506
Deoxyoleanolic acid	619168	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCC5(C)C)C)C)C2C1)C)C(=O)O)C	440.70	unknown	https://doi.org/10.1016/0031-9422(92)80497-3
Lup-20(29)-en-3-ol, (3beta)-	521518	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/10.1016/S0031-9422(01)00341-7
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/10.1016/S0031-9422(01)00341-7
Olean-12-en-28-oic acid	14208454	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCC5(C)C)C)C)C2C1)C)C(=O)O)C	440.70	unknown	https://doi.org/10.1016/0031-9422(92)80497-3
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/10.3136/FSTR.6.216 https://doi.org/10.1248/BPB.30.287
Ursolic Acid	64945	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	456.70	unknown	https://doi.org/10.1016/S0378-8741(00)00396-2 https://doi.org/10.1002/ARDP.19512840506
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
(1R,2R,7S,10R,13R,14R,16S,19R,20S)-19-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione	98050000	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=CC(=O)OC7O)C)C)C	502.50	unknown	via CMAUP database
(1R,2R,7S,10S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione	92966492	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C	470.50	unknown	via CMAUP database
(2'R,5aR,7aR,8R,9S,11aR,11bR)-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid	53363753	Click to see CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C	634.70	unknown	via CMAUP database
Limonin	179651	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C	470.50	unknown	via CMAUP database
Nomilin	72320	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C	514.60	unknown	via CMAUP database
Obacunone	119041	Click to see CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	454.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
[8,14,17-Trihydroxy-3-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-[1-(3-phenylprop-2-enoyloxy)ethyl]-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 3-phenylprop-2-enoate	163039806	Click to see CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3CCC4(C5CC(C6(C(CCC6(C5(CC=C4C3)O)O)(C(C)OC(=O)C=CC7=CC=CC=C7)O)C)OC(=O)C=CC8=CC=CC=C8)C)C)OC)O	931.10	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
2-[[5-(5,6-Dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadecan-13-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	76806425	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24CCC5(C3(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)OO4)C	592.80	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	12314479	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	122544	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
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/10.1016/S0031-9422(01)00341-7
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/10.1016/S0031-9422(01)00341-7
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
(2R,5S)-2,5-diamino-2-hydroxyhexanoic acid	162950022	Click to see CC(CCC(C(=O)O)(N)O)N	162.19	unknown	https://doi.org/10.1007/BF00637166
2,5-Diamino-2-hydroxyhexanoic acid	131231370	Click to see CC(CCC(C(=O)O)(N)O)N	162.19	unknown	https://doi.org/10.1007/BF00637166
> 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/10.1016/J.CHROMA.2007.01.090
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside	73815050	Click to see CC1(C2CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)C	332.39	unknown	https://doi.org/10.1021/JF980160I
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol	21630950	Click to see CC1(C2CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)C	332.39	unknown	https://doi.org/10.1021/JF980160I
[(2R,3S,4R,5R,6S)-6-[[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 3,4-dihydroxybenzoate	44558991	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C=C3)O)O)O)O)O)O)(CO)O	448.40	unknown	https://doi.org/10.1021/NP980436G
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 4-hydroxybenzoate	10836469	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C3=CC=C(C=C3)O)O)O)O)O)(CO)O	432.40	unknown	https://doi.org/10.1021/NP980436G
2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol	14079044	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O	402.40	unknown	https://doi.org/10.1021/JF980614B
Apiosylglucosyl 4-hydroxybenzoate	85284146	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C3=CC=C(C=C3)O)O)O)O)O)(CO)O	432.40	unknown	https://doi.org/10.1021/NP980436G
Icariside F2	14079045	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O	402.40	unknown	https://doi.org/10.1021/JF980614B
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid	102461464	Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C=CC(=O)O)CO)O)O)O)(CO)O	458.40	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5
(Z)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid	102461465	Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C=CC(=O)O)CO)O)O)O)(CO)O	458.40	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5
1-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]ethanone	10646277	Click to see CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O	430.40	unknown	https://doi.org/10.1021/JF980614B https://doi.org/10.1016/S0031-9422(00)00309-5
1-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]ethanone	163009189	Click to see CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O	430.40	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
3-[4-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid	20979978	Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C=CC(=O)O)CO)O)O)O)(CO)O	458.40	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5
4-Acetylphenyl hexopyranoside	539591	Click to see CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O	298.29	unknown	https://doi.org/10.1021/JF980614B
Citrusin C	9945189	Click to see COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O	326.34	unknown	https://doi.org/10.1021/JF980160I
Eugenyl glucoside	3084296	Click to see COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O	326.34	unknown	https://doi.org/10.1021/JF980160I
Picein	92123	Click to see CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O	298.29	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1021/JF980614B
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5,5'-Oxybis(5-methylene-2-furaldehyde)	12366272	Click to see C1=C(OC(=C1)C=O)COCC2=CC=C(O2)C=O	234.20	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(R)-alpha-Citronellal	72941638	Click to see CC(CCCC(=C)C)CC=O	154.25	unknown	via CMAUP database
Decanal	8175	Click to see CCCCCCCCCC=O	156.26	unknown	via CMAUP database
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	via CMAUP database
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 / Ketones
6-Methyl-5-hepten-2-one	9862	Click to see CC(=CCCC(=O)C)C	126.20	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans
(-)-Rosmadial	72996596	Click to see CC(C)C1=C(C2=C(C(=C1)C=O)C3(CCCC(C3C=O)(C)C)C(=O)O2)O	344.40	unknown	https://doi.org/10.1021/JF00039A012 https://doi.org/10.1016/S0031-9422(01)00341-7
Rosmadial	15801061	Click to see CC(C)C1=C(C2=C(C(=C1)C=O)C3(CCCC(C3C=O)(C)C)C(=O)O2)O	344.40	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7 https://doi.org/10.1021/JF00039A012
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans
[(6R,6aS,8S,10aS)-4-acetyloxy-1-formyl-8,10a-dimethyl-7-methylidene-3-propan-2-yl-6a,8,9,10-tetrahydro-6H-benzo[c]chromen-6-yl] acetate	163088783	Click to see CC1CCC2(C(C1=C)C(OC3=C2C(=CC(=C3OC(=O)C)C(C)C)C=O)OC(=O)C)C	414.50	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(3S,3aS,6R,6aR,9bS)-6,6a-dihydroxy-3,6,9-trimethyl-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-2,7-dione	162868719	Click to see CC1C2CCC(C3(C(=O)CC(=C3C2OC1=O)C)O)(C)O	280.32	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
> Organoheterocyclic compounds / Oxepanes
(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane	6857487	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Carvone oxide	11030188	Click to see CC(=C)C1CC2C(O2)(C(=O)C1)C	166.22	unknown	via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol	100951837	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)CCCO	522.50	unknown	https://doi.org/10.1021/JF980614B
2-(3,7-Dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-enyl)benzene-1,3-diol	162924996	Click to see CC(=CCCC(=CCC1=C(C=C(C(=C1O)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)O)C)C	446.60	unknown	https://doi.org/10.1021/JF980614B https://doi.org/10.1016/S0031-9422(00)00309-5
Dihydrodehydroconiferyl alcohol 4-O-glucoside	14681438	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)CCCO	522.50	unknown	https://doi.org/10.1021/JF980614B
> Phenylpropanoids and polyketides / 3,4-dihydrocoumarins
(6aR,10aR)-4-hydroxy-7,7-dimethyl-6-oxo-3-propan-2-yl-6a,8,9,10-tetrahydrobenzo[c]chromene-1,10a-dicarbaldehyde	10472670	Click to see CC(C)C1=C(C2=C(C(=C1)C=O)C3(CCCC(C3C(=O)O2)(C)C)C=O)O	344.40	unknown	https://doi.org/10.1016/S0031-9422(00)94798-8
Safficinolide	85152699	Click to see CC(C)C1=C(C2=C(C(=C1)C=O)C3(CCCC(C3C(=O)O2)(C)C)C=O)O	344.40	unknown	https://doi.org/10.1016/S0031-9422(97)00151-9 https://doi.org/10.1016/S0031-9422(00)94798-8
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(S)-rosmarinic acid	639655	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	360.30	unknown	https://doi.org/10.1021/JF980614B https://doi.org/10.1016/S0031-9422(98)00730-4
[6-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate	85116664	Click to see C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O	504.40	unknown	https://doi.org/10.1021/NP980436G
3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid	5099	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	360.30	unknown	https://doi.org/10.1021/JF980614B https://doi.org/10.1016/S0031-9422(98)00730-4
cis-Martynoside	10349304	Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O	652.60	unknown	https://doi.org/10.1016/S0305-1978(02)00165-5
coumaroyl(3-OH)(-6)Glc(a1-2b)Fruf	10346004	Click to see C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O	504.40	unknown	https://doi.org/10.1021/NP980436G
coumaroyl(3-OH)(-6)Glc(a1-2b)Tagf	10720287	Click to see C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O	504.40	unknown	https://doi.org/10.1021/NP980436G
Rosmarinic acid	5281792	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	360.30	unknown	https://doi.org/10.1021/JF010697N https://doi.org/10.1016/S0031-9422(98)00730-4 https://doi.org/10.1007/S00216-007-1298-8 https://doi.org/10.1016/J.FOODCHEM.2006.01.033
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
2-(4-Hydroxyphenyl)ethyl 3-(4-hydroxyphenyl)prop-2-enoate	86163337	Click to see C1=CC(=CC=C1CCOC(=O)C=CC2=CC=C(C=C2)O)O	284.31	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Hydroxycinnamic acid glycosides
[(2R,3S,4R,5R,6S)-6-[[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	44558989	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)(CO)O	474.40	unknown	https://doi.org/10.1021/NP980436G
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	10457595	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)(CO)O	474.40	unknown	https://doi.org/10.1021/NP980436G
[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate	75069277	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)(CO)O	474.40	unknown	https://doi.org/10.1021/NP980436G
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
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/10.1007/S00216-007-1298-8
3,4-Dihydroxy cinnamic acid	2518	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF990761P
4-Hydroxycinnamic acid	322	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1002/CBDV.201100219 https://doi.org/10.1007/S00216-007-1298-8
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1016/J.CHROMA.2007.01.090 https://doi.org/10.1021/JF990761P
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1002/CBDV.201100219 https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1016/J.CHROMA.2007.01.090
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1016/J.CHROMA.2007.01.090 https://doi.org/10.1007/S00216-007-1298-8
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
(2R)-2-[(E)-3-[4-(6,7-dihydroxy-2-oxochromen-3-yl)oxy-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	154497397	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC3=CC4=CC(=C(C=C4OC3=O)O)O)O)O)O	536.40	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1016/S0031-9422(99)00368-4
(2S)-2-[(E)-3-[4-(6,7-dihydroxy-2-oxochromen-3-yl)oxy-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	71812273	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC3=CC4=CC(=C(C=C4OC3=O)O)O)O)O)O	536.40	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
2-[3-[4-(6,7-Dihydroxy-2-oxochromen-3-yl)oxy-3-hydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid	163037933	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC3=CC4=CC(=C(C=C4OC3=O)O)O)O)O)O	536.40	unknown	https://doi.org/10.1016/S0031-9422(99)00368-4
Sagecoumarin	15491283	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC3=CC4=CC(=C(C=C4OC3=O)O)O)O)O)O	536.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
Xanthoxyletin	66548	Click to see CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C	258.27	unknown	via CMAUP database
Xanthyletin	65188	Click to see CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	228.24	unknown	via CMAUP database
> 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/10.1021/JF040083T
Eriodictyol	440735	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O	288.25	unknown	https://doi.org/10.1002/CBDV.201100219
> 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/CBDV.201100219 https://doi.org/10.1055/S-2003-37712 https://doi.org/10.1021/JF010697N
Apigenin-7-olate	25200950	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-])O	269.23	unknown	via CMAUP database
Isoscutellarein	5281665	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O	286.24	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
Luteolin	5280445	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	https://doi.org/10.1002/CBDV.201100219
Scutellarein	5281697	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O	286.24	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
3-Hydroxy-5,6,7,4'-tetramethoxyflavone	24752965	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O	358.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	154497665	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	44257674	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5
Vicenin 2	442664	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5
Vicenin-2	3084407	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides
Luteolin 3'-o-glucuronide	10253785	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O	462.40	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1016/S0031-9422(00)00309-5
Luteolin-3'-D-glucuronide;Luteolin 3'-O-glucuronide;Luteolin-3-O-(c)micro-D-glucuronide	73193164	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O	462.40	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	59991329	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
Luteolin 7-glucuronide	5280601	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O	462.40	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5 https://doi.org/10.1016/S0031-9422(01)00415-0
Luteolin-7-o-glucuronide	13607752	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O	462.40	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
5-hydroxy-2-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dimethoxychromen-4-one	11972311	Click to see COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O)OC	492.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	10283930	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)C)O)O)O	756.70	unknown	https://doi.org/10.1021/JF010697N
Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside	157009737	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)C)O)O)O)O)O	740.70	unknown	https://doi.org/10.1021/JF010697N
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/10.1021/JF010697N
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	13940617	Click to see COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O	462.40	unknown	https://doi.org/10.1021/JF980614B
6-Hydroxyluteolin 7-glucoside	185766	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	464.40	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
Apigenin 7-O-glucoside	5385553	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	https://doi.org/10.1021/ACS.JNATPROD.7B00155
Hesperidin	10621	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	610.60	unknown	via CMAUP database
Homoplantaginin	5318083	Click to see COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O	462.40	unknown	https://doi.org/10.1021/JF980614B
Luteolin 7-galactoside	5291488	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0031-9422(00)00309-5 https://doi.org/10.1021/JF980614B
Luteolin 7-O-glucoside	5280637	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1021/JF980614B https://doi.org/10.1016/S0031-9422(00)00309-5
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	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/10.1016/S0031-9422(01)00415-0
Takakin	44258588	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O	300.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
5,7-Dihydroxy-3,6-dimethoxyflavone	5481646	Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=CC=C3)O	314.29	unknown	via CMAUP database
Eupatilin	5273755	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC	344.30	unknown	via CMAUP database
Hispidulin	5281628	Click to see COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O	300.26	unknown	https://doi.org/10.1055/S-2003-37712
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
3,4',6,7-Tetramethoxyflavone	14887080	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)OC)OC)OC	342.30	unknown	via CMAUP database
3',4',5',5,7-Pentamethoxyflavone	493376	Click to see COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC	372.40	unknown	via CMAUP database
5-Hydroxy-3',4',6,7-tetramethoxyflavone	152430	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC	358.30	unknown	via CMAUP database
7-O-Methylluteolin	5318214	Click to see COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O	300.26	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
8-Hydroxy-4',5,7-trimethoxyflavone	5318368	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)O	328.30	unknown	via CMAUP database
Apigenin trimethyl ether	79730	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC	312.30	unknown	via CMAUP database
Cirsiliol	160237	Click to see COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC	330.29	unknown	via CMAUP database
Cirsimaritin	188323	Click to see COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC	314.29	unknown	https://doi.org/10.1021/NP50030A007 https://doi.org/10.1021/JF010697N https://doi.org/10.1055/S-2003-37712
Fastigenin	162464	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O	344.30	unknown	via CMAUP database
Genkwanin	5281617	Click to see COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O	284.26	unknown	https://doi.org/10.1021/NP3001464 https://doi.org/10.1016/S0031-9422(01)00415-0
Salvigenin	161271	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O	328.30	unknown	https://doi.org/10.1016/S0031-9422(01)00341-7
Sinensetin	145659	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC	372.40	unknown	via CMAUP database
Tetramethylscutellarein	96118	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC	342.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one	10452846	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)OC)OC	388.40	unknown	via CMAUP database
3,5,6,7,8,3',4'-Heptamethphoxyflavone	150893	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC	432.40	unknown	via CMAUP database
3'-Demethylnobiletin	183466	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O	388.40	unknown	via CMAUP database
3',4'-Didemethylnobiletin	5318041	Click to see COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)OC	374.30	unknown	via CMAUP database
4'-Hydroxy-3',5,6,7,8-pentamethoxyflavone	21593928	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O	388.40	unknown	via CMAUP database
4'-Hydroxy-5,6,7,8-tetramethoxyflavone	3010100	Click to see COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC)OC	358.30	unknown	via CMAUP database
4',5-Dihydroxy-7,8-dimethoxyflavone	14585506	Click to see COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC	314.29	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-	44584772	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC	372.40	unknown	via CMAUP database
5-Hydroxy-7,8,4'-trimethoxyflavone	14353376	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC	328.30	unknown	via CMAUP database
5-o-Desmethylnobiletin	358832	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC	388.40	unknown	via CMAUP database
6-Demethoxytangeretin	629964	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC	342.30	unknown	via CMAUP database
7-Hydroxy-4',5,6,8-tetramethoxyflavone	5318356	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)OC	358.30	unknown	via CMAUP database
8-Methoxycirsilineol	181092	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O	374.30	unknown	via CMAUP database
Acerosin	177696	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)O	360.30	unknown	via CMAUP database
Gardenin B	96539	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O	358.30	unknown	via CMAUP database
Gardenin D	3080750	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O	374.30	unknown	via CMAUP database
Isosinensetin	632135	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC	372.40	unknown	via CMAUP database
Linderoflavone B	97151	Click to see COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC	386.40	unknown	via CMAUP database
Nobiletin	72344	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	402.40	unknown	via CMAUP database
Sudachitin	12443122	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)O	360.30	unknown	via CMAUP database
Tangeretin	68077	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	372.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Pyranoflavonoids
4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone	44258693	Click to see CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC)C	380.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Macrolides and analogues
(4Z)-4-Ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione	12315046	Click to see CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)O)C	353.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
4-Acetylphenyl 2-O-[5-O-(3,5-dimethoxy-4-hydroxybenzoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranoside	10722425	Click to see CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)OC)O)OC)O)O	610.60	unknown	https://doi.org/10.1021/JF990761P
4'-Hydroxyacetophenone 4'-[4-hydroxy-3,5-dimethoxybenzoyl-(->5)-apiosyl-(1->2)-glucoside]	85245577	Click to see CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)OC)O)OC)O)O	610.60	unknown	https://doi.org/10.1021/JF990761P

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Salvia officinalis

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