Scientific name	Authority	First published in
Mussaenda chinensis	Lour.	Fl. Cochinch. : 152 (1790)
Gardenia jasminoides var. plana	(Voigt) M.R.Almeida	Fl. Maharashtra 3A: 15 (2001).
Gardenia florida f. simpliciflora	Makino	Bot. Mag. (Tokyo) 26: 395 1912
Gardenia florida var. ovalifolia	Sims	Bot. Mag. 53: t. 2627. 1826
Gardenia jasminoides f. albomarginata	H.Hara	Enum. Sperm. Jap. 2: 14 1952
Gardenia jasminoides f. grandiflora	(Lour.) Makino	Ill. Fl. Jap. ed. rev.: 117 1949
Gardenia florida var. grandiflora	(Lour.) Franch. & Sav.	Enum. Pl. Jap. 1: 208. 1875
Gardenia augusta var. grandiflora	(Lour.) Sasaki	List Pl. Formosa 380. 1928
Gardenia jasminoides f. maruba	(Siebold ex Blume) Nakai ex Ishii	Engei-daijiten 2: 690 1950
Gardenia jasminoides var. maruba	(Siebold ex Blume) Nakai	Trees Shrubs Japan ed. rev.: 520. 1927
Gardenia florida var. maruba	(Siebold ex Blume) Matsum.	Bot. Mag. (Tokyo) 15: 4. 1901
Gardenia jasminoides f. oblanceolata	(Nakai) Nakai	Trees Shrubs Japan ed. rev.: 520 1927
Gardenia florida f. oblanceolata	Nakai	Trees Shrubs Japan 387 1922
Gardenia jasminoides f. ovalifolia	(Sims) H.Hara	Enum. Sperm. Jap. 2: 15 1952
Gardenia jasminoides var. ovalifolia	(Sims) Nakai	Trees Shrubs Japan ed. rev.: 520 1927
Gardenia augusta var. ovalifolia	(Sims) Sasaki	List Pl. Formos. 380 1928
Gardenia jasminoides f. aureovariegata	Nakai	Trees Shrubs Japan ed. rev.: 520 1927
Gardenia jasminoides f. variegata	(Carrière) Nakai	Trees Shrubs Japan ed. rev.: 519 1927
Gardenia jasminoides var. fortuneana	(Lindl.) H.Hara	Enum. Sperm. Jap. 2: 15 1952
Gardenia florida var. fortuneana	Lindl.	Edwards's Bot. Reg. 32: t. 43. 1846
Gardenia jasminoides var. longisepala	(Masam.) Metcalf	Lingnan Sci. J. 12(4): 594 1933
Gardenia jasminoides var. radicans	(Thunb.) Makino	Ill. Fl. Nippon 118. 1940
Gardenia florida var. radicans	(Thunb.) Matsum.	Bot. Mag. (Tokyo) 15: 4. 1901
Gardenia jasminoides var. variegata	(Carrière) Makino	Engei-daijiten 2: 690 1950
Gardenia jasminoides f. albovariegata	H.Hara	Enum. Sperm. Jap. 2: 16 1952
Gardenia jasminoides f. simpliciflora	(Makino) Makino	Ill. Fl. Nippon 118 1940
Gardenia radicans var. simpliciflora	(Makino) Nakai	Trees Shrubs Japan 390 1922
Jasminum capense	Mill.	Gard. Dict. ed. 8 : n.º 7 (1768)
Gardenia angustifolia var. kosyunensis	(Sasaki) Masam.	Short Fl. Formos. 202 1936
Gardenia augusta var. kosyunensis	Sasaki	Trans. Nat. Hist. Soc. Formosa 18: 217. 1928
Gardenia angustifolia	G.Lodd.	Bot. Cab. 6: t. 512 (1821)
Gardenia augusta var. longisepala	Masam.	J. Soc. Trop. Agric. 4: 195. 1932
Gardenia florida var. plena	Voigt	Hort. Suburb. Calcutt. 378. 1845
Gardenia grandiflora	Lour.	Fl. Cochinch. : 147 (1790)
Gardenia jasminoides var. grandiflora	(Lour.) Nakai	Trees Shrubs Japan ed. rev.: 518. 1927
Gardenia jasminoides f. longicarpa	Z.W.Xie & M.Okada	J. Jap. Bot. 65: 123 (1990)
Gardenia longisepala	(Masam.) Masam.	Mem. Fac. Sci. Taihoku Imp. Univ. 11(4): 417 (1934)
Gardenia maruba	Siebold	in Blume, Bijdr. 1015.
Gardenia pictorum	Hassk.	Flora 28: 234 (1845)
Gardenia radicans	Thunb.	Gardenia : 11 (1780)
Genipa florida	Baill.	Hist. Pl. 7: 307, 379 (1880)
Genipa grandiflora	Baill.	Hist. Pl. 7: 374 (1880)
Genipa radicans	Baill.	Hist. Pl. 7: 379 (1880)

Common names Top

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Filter by language:

Language	Common/alternative name
English	cape jasmine
Arabic	غردينية ياسمينية
Arabic	غاردينيا ياسمينية
Assamese	তগৰ
Azerbaijani	jasminəbənzər qardeniya
ban	jempiring
Bulgarian	жасминова гардения
Bengali	গন্ধরাজ
Czech	gardénie jasmínovitá
German	gardenie
dty	इन्द्रकमल
Persian	گاردنیا
Finnish	keikarinkukka
Finnish	kiinangardenia
Gujarati	અનંત
Gujarati	અનંત વૃક્ષ
Hindi	अनंत वृक्ष
Indonesian	kaca piring
Indonesian	kacapiring
Japanese	くちなし
Japanese	梔子
Japanese	支子
Japanese	巵子
Japanese	山梔子
Japanese	山梔
Japanese	サンシシ
Japanese	クチナシ
jv	ceplok piring
Korean	치자나무
Korean	치자
lzh	梔子
Malayalam	ഗന്ധരാജൻ
Marathi	अनंत
Burmese	ဇီဇဝါ
Nepali	इन्द्रकमल
Dutch	kaapse jasmijn
Oriya	ଗନ୍ଧରାଜ
Oriya	ସୁଗନ୍ଧରାଜ
Portuguese	gardênia
Portuguese	gardénia
pwn	tjava
Russian	гардения жасминовидная
Russian	Гардения укореняющаяся
su	kacapiring
Tamil	கும்பிலி
Thai	พุดซ้อน
Tonga	siale matalateau
ty	taina
Vietnamese	chi tử
Vietnamese	mác làng cương
Vietnamese	thuỷ hoàng chi
Vietnamese	dành dành
Chinese	栀子根
Chinese	黄枝子
Chinese	栀子花
Chinese	水栀子
Chinese	栀子叶
Chinese	栀子
Chinese	山黃梔
Chinese	山栀子
Chinese	山栀
Chinese	山黄枝
Chinese	山黄栀
Chinese	木丹
Chinese	林兰
Chinese	梔子花
Chinese	水横枝
Chinese	越桃
Chinese	黄叶下
Chinese	黄果子
Chinese	黄栀
Chinese	黄栀子
Chinese	梔子

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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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

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Western Indian Ocean
  - Comoros

Asia-temperate click to expand
- China
  - China North-central
  - China South-central
  - China Southeast
  - Hainan
- Eastern Asia
  - Korea
  - Taiwan

Asia-tropical click to expand
- Indian Subcontinent
  - Bangladesh
  - East Himalaya
- Indo-China
  - Cambodia
  - Laos
  - Thailand
  - Vietnam

Pacific click to expand
- Northwestern Pacific
  - Caroline Islands
  - Marianas
  - Marshall Islands
- South-central Pacific
  - Society Islands
  - Tubuai Islands

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000970976
UNII	0PK353KHF0
Flora of Alabama	5506
USDA Plants	GAJA
Tropicos	27902826
INPN	447488
KEW	urn:lsid:ipni.org:names:751073-1
The Plant List	kew-88270
Missouri Botanical Garden	286686
Open Tree Of Life	919367
NCBI Taxonomy	114476
IPNI	751073-1
iNaturalist	210990
GBIF	5335125
Freebase	/m/027nbz3
EPPO	GADJA
EOL	1102886
USDA GRIN	70315
Wikipedia	Gardenia_jasminoides
CMAUP	NPO9518

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
GCA_013103745.1	ASM1310374v1	Chromosome	Chinese Academy of Medical Sciences, Peking Union Medical College	2020-05-15	60.0x	510.11 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

Huang Lian Jie Du Decoction enhances the anti-tumor efficacy of immune checkpoint inhibitors by activating TLR7/8 signalling in melanoma

Liu S, Zhang Y, Zhu X, He S, Liu X, Lv X, Zuo F, Wu J

BMC Complement Med Ther

11-Apr-2024

PMCID:	PMC11007990
doi:	10.1186/s12906-024-04444-y
PMID:	38605368

Research progress on the pharmacological activity, biosynthetic pathways, and biosynthesis of crocins

Hua Z, Liu N, Yan X

Beilstein J Org Chem

09-Apr-2024

PMCID:	PMC11022409
doi:	10.3762/bjoc.20.68
PMID:	38633914

The traditional uses, pharmacology, and phytochemistry of Peucedanum praeruptorum Dunn

Wang Q, Sun Q, Huang Q, Qin L, Zhu B

Front Pharmacol

03-Apr-2024

PMCID:	PMC11021687
doi:	10.3389/fphar.2024.1352657
PMID:	38633612

Synergistic dual cell therapy for atherosclerosis regression: ROS-responsive Bio-liposomes co-loaded with Geniposide and Emodin

Li Z, Zhu H, Liu H, Liu D, Liu J, Zhang Y, Qin Z, Xu Y, Peng Y, Ruan L, Li J, He Y, Liu B, Long Y

J Nanobiotechnology

25-Mar-2024

PMCID:	PMC10962080
doi:	10.1186/s12951-024-02389-5
PMID:	38528554

Pest categorisation of Pyrrhoderma noxium

Bragard C, Baptista P, Chatzivassiliou E, Di Serio F, Gonthier P, Jaques Miret JA, Justesen AF, MacLeod A, Magnusson CS, Milonas P, Navas‐Cortes JA, Parnell S, Potting R, Stefani E, Thulke H, Van der Werf W, Vicent Civera A, Yuen J, Zappalà L, Golic D, Gobbi A, Maiorano A, Pautasso M, Reignault PL

EFSA J

19-Mar-2024

PMCID:	PMC10949325
doi:	10.2903/j.efsa.2024.8667
PMID:	38505477

Oxidative Stress in Spinocerebellar Ataxia Type 3 and Its Attenuation by Herbal Remedies in Traditional Chinese Medicine: A Systematic Review

Mohd Hisam NS, Wong KH

Antioxidants (Basel)

19-Mar-2024

PMCID:	PMC10968558
doi:	10.3390/antiox13030375
PMID:	38539908

Metabolic dysfunction-associated fatty liver disease: current therapeutic strategies

Al Hashmi K, Giglio RV, Pantea Stoian A, Patti AM, Al Waili K, Al Rasadi K, Ciaccio M, Rizzo M

Front Nutr

19-Mar-2024

PMCID:	PMC10985255
doi:	10.3389/fnut.2024.1355732
PMID:	38567250

Integration of transcriptomics and metabolomics reveals toxicological mechanisms of ZhuRiHeng drop pill in the 180-day repeated oral toxicity study

Zhang Q, Wang F, Liu J, Li J, Zhang W, Na S, Lu J, Wang Y

Front Pharmacol

15-Mar-2024

PMCID:	PMC10978746
doi:	10.3389/fphar.2024.1333167
PMID:	38560353

Chinmedomics: a potent tool for the evaluation of traditional Chinese medicine efficacy and identification of its active components

Wang M, Yin F, Kong L, Yang L, Sun H, Sun Y, Yan G, Han Y, Wang X

Chin Med

13-Mar-2024

PMCID:	PMC10935806
doi:	10.1186/s13020-024-00917-x
PMID:	38481256

Shuganning Injection Suppresses Apoptosis for Protecting Against Cantharidin-Induced Liver Injury by Network Pharmacology and Experiment Validation

Duan X, Ao J, Yu M, Li S, Li X, Zhang J

ACS Omega

12-Mar-2024

PMCID:	PMC10976354
doi:	10.1021/acsomega.3c07981
PMID:	38559921

Geniposide alleviates cholesterol-induced endoplasmic reticulum stress and apoptosis in osteoblasts by mediating the GLP-1R/ABCA1 pathway

Zhong M, Wu Z, Chen Z, Wu L, Zhou J

J Orthop Surg Res

11-Mar-2024

PMCID:	PMC10926581
doi:	10.1186/s13018-024-04665-4
PMID:	38468352

A multi-center cross-sectional study of Chinese Herbal Medicine-Drug adverse reactions using active surveillance in Singapore’s Traditional Chinese Medicine clinics

Ng CY, Zhao Y, Wang N, Chia KL, Teo CH, Peh W, Yeo P, Zhong LL

Chin Med

07-Mar-2024

PMCID:	PMC10918936
doi:	10.1186/s13020-024-00915-z
PMID:	38454483

Hyperuricemia research progress in model construction and traditional Chinese medicine interventions

Zhou H, Yang J, Yuan X, Song X, Zhang X, Cao T, Zhang J

Front Pharmacol

07-Mar-2024

PMCID:	PMC10955118
doi:	10.3389/fphar.2024.1294755
PMID:	38515855

Traditional Chinese medicine treats ulcerative colitis by regulating gut microbiota, signaling pathway and cytokine: Future novel method option for pharmacotherapy

Wang T, Liu X, Zhang W, Wang J, Wang T, Yue W, Ming L, Cheng J, Sun J

Heliyon

06-Mar-2024

PMCID:	PMC10945194
doi:	10.1016/j.heliyon.2024.e27530
PMID:	38501018

Multi-omics analysis reveals promiscuous O-glycosyltransferases involved in the diversity of flavonoid glycosides in Periploca forrestii (Apocynaceae)

Wang X, Wu L, Zhang W, Qiu S, Xu Z, Wan H, He J, Wang W, Wang M, Yin Q, Shi Y, Gao R, Xiang L, Yang W

Comput Struct Biotechnol J

02-Mar-2024

PMCID:	PMC10940802
doi:	10.1016/j.csbj.2024.02.028
PMID:	38495554

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 / Hydroxyanthraquinones
6,1'-O,O-dimethylaverantin	60199901	Click to see CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O)OC	400.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
1,2-Benzenedi(carboxylic-14C)acid, dibutyl ester	171810	Click to see CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC	282.33	unknown	via CMAUP database
Dibutyl Phthalate	3026	Click to see CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC	278.34	unknown	via CMAUP database
Diisobutyl phthalate	6782	Click to see CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C	278.34	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	via CMAUP database
3,4-Dihydroxybenzoate	54675866	Click to see C1=CC(=C(C=C1C(=O)O)O)[O-]	153.11	unknown	via CMAUP database
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1021/NP050447R
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
4-Hydroxy-3,5-dimethoxybenzoate	54694262	Click to see COC1=CC(=CC(=C1[O-])OC)C(=O)O	197.16	unknown	via CMAUP database
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	unknown	via CMAUP database
> 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	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillate	54675858	Click to see COC1=C(C=CC(=C1)C(=O)O)[O-]	167.14	unknown	via CMAUP database
Vanillic Acid	8468	Click to see COC1=C(C=CC(=C1)C(=O)O)O	168.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
3,4-Dimethoxybenzoic acid	7121	Click to see COC1=C(C=C(C=C1)C(=O)O)OC	182.17	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
2,5-Dimethylbenzaldehyde	22015	Click to see CC1=CC(=C(C=C1)C)C=O	134.17	unknown	via CMAUP database
p-Anisaldehyde	31244	Click to see COC1=CC=C(C=C1)C=O	136.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	https://doi.org/10.1271/BBB.57.1101
Salicyl alcohol	5146	Click to see C1=CC=C(C(=C1)CO)O	124.14	unknown	https://doi.org/10.1055/S-2007-969419
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
4-[[Hydroxy-[(4-hydroxyphenyl)methyl]amino]methyl]phenol	5317532	Click to see C1=CC(=CC=C1CN(CC2=CC=C(C=C2)O)O)O	245.27	unknown	via CMAUP database
> Benzenoids / Phenols / Benzenediols / Catechols
Urushiol III	5281862	Click to see CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O	316.50	unknown	via CMAUP database
> Benzenoids / Phenols / Benzenetriols and derivatives / Hydroxyquinols and derivatives
1,2,4-Benzenetriol	10787	Click to see C1=CC(=C(C=C1O)O)O	126.11	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
3,4,5-Trimethoxyphenol	69505	Click to see COC1=CC(=CC(=C1OC)OC)O	184.19	unknown	via CMAUP database
Syringaldehyde	8655	Click to see COC1=CC(=CC(=C1O)OC)C=O	182.17	unknown	via CMAUP database
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
Tyrosol	10393	Click to see C1=CC(=CC=C1CCO)O	138.16	unknown	via CMAUP database
> Homogeneous metal compounds / Homogeneous transition metal compounds
Chromium(6+)	29131	Click to see [Cr+6]	52.00	unknown	via CMAUP database
Copper	23978	Click to see [Cu]	63.55	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Heptadecane	12398	Click to see CCCCCCCCCCCCCCCCC	240.50	unknown	via CMAUP database
Nonacosane	12409	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	408.80	unknown	via CMAUP database
Pentadecane	12391	Click to see CCCCCCCCCCCCCCC	212.41	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
2-Methylheptadecane	15265	Click to see CCCCCCCCCCCCCCCC(C)C	254.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271100/
> Lignans, neolignans and related compounds / Furanoid lignans
4-[(3S,3aR,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol	332425	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC	388.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Prostaglandins and related compounds
(1S,3S,3'E,5R,8S,9S,12R)-2,12-dihydroxy-3'-(2-hydroxy-1-methoxyethylidene)-8-methoxy-7-methyl-12-propan-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,5'-oxolane]-2',11-dione	11969880	Click to see CC(C)C1(C2C(C3(C4(CC(=C(CO)OC)C(=O)O4)C5C(C3(C1C(=O)O2)O)O5)C)OC)O	440.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
(3S)-3beta,6beta,9beta-Trimethyl-4beta-(angeloyloxy)-6,7alpha-dihydroxy-9-(methoxymethyl)-2,3,3abeta,5,6,7,9,9balpha-octahydro-4H-cyclohepta[2,1-b:3,4-c']difuran-2-one	102321417	Click to see CC=C(C)C(=O)OC1CC(C2=C(C3C1C(C(=O)O3)C)C(OC2O)(C)COC)(C)O	410.50	unknown	via CMAUP database
2-Methyl-2-butenoic acid [(3aR)-2,3,3abeta,4,5,6,7,8,9,9balpha-decahydro-2,7-dioxo-6alpha,9beta-dihydroxy-3beta,6,9-trimethylazuleno[4,5-b]furan]-4beta-yl ester	15922700	Click to see CC=C(C)C(=O)OC1CC(C2=C(C3C1C(C(=O)O3)C)C(CC2=O)(C)O)(C)O	378.40	unknown	via CMAUP database
8alpha-Angeloyl-2alpha,4alpha,10beta-trihydroxy-6betaH,7alphaH-1(5)-guaien-12,6alpha-olide	643640	Click to see CC=C(C)C(=O)OC1CC(C2=C(C3C1C(C(=O)O3)C)C(CC2O)(C)O)(C)O	380.40	unknown	via CMAUP database
8alpha-Angeloyl-4alpha,10beta-dihydroxy-2-oxo-6betaH,7alphaH,11betaH-1(5)-guaien-12,6alpha-olide	101143220	Click to see CC=C(C)C(=O)OC1CC(C2=C(C3C1C(C(=O)O3)C)C(CC2=O)(C)O)(C)O	378.40	unknown	via CMAUP database
Angeloylartabsin	101078309	Click to see CC=C(C)C(=O)OC1CC(C2=CCC(=C2C3C1C(C(=O)O3)C)C)(C)O	346.40	unknown	via CMAUP database
Tigloylartabsin	101672241	Click to see CC=C(C)C(=O)OC1CC(C2=CCC(=C2C3C1C(C(=O)O3)C)C)(C)O	346.40	unknown	via CMAUP database
> 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	via CMAUP database
Octadecanoic 1-14C acid	164708	Click to see CCCCCCCCCCCCCCCCCC(=O)O	286.50	unknown	via CMAUP database
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
(3E,9E)-undeca-3,9-dienoic acid	52914864	Click to see CC=CCCCCC=CCC(=O)O	182.26	unknown	via CMAUP database
Caproic Acid	8892	Click to see CCCCCC(=O)O	116.16	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(2R,3R,4S,5S,6R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol	162925122	Click to see CC(=CCCC(=COC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C)C	434.50	unknown	https://doi.org/10.1002/HLCA.200900291
(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylic acid	95790309	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)(C)C)C(=O)O	552.60	unknown	https://doi.org/10.1002/HLCA.200900291
(R)-Linalyl beta-vicianoside	23815399	Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C	448.50	unknown	https://doi.org/10.1016/0031-9422(94)85079-8
[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl] (E)-3-phenylprop-2-enoate	44513741	Click to see C=C(CCOC1C(C(C(C(O1)CO)O)O)O)COC(=O)C=CC2=CC=CC=C2	394.40	unknown	https://doi.org/10.1021/JF991263J https://doi.org/10.1248/BPB.28.2106 https://doi.org/10.1248/CPB.55.1643 https://doi.org/10.1021/JF950713E
2-(2,6-Dimethylhepta-1,5-dienoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol	162925121	Click to see CC(=CCCC(=COC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C)C	434.50	unknown	https://doi.org/10.1002/HLCA.200900291
2,6,6-Trimethyl-4-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylic acid	78151421	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)(C)C)C(=O)O	552.60	unknown	https://doi.org/10.1002/HLCA.200900291
L-Linalool 3-[xylosyl-(1->6)-glucoside]	73410547	Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C	448.50	unknown	https://doi.org/10.1016/0031-9422(94)85079-8
Picrocrocinic acid	5320582	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C(=O)O	346.37	unknown	https://doi.org/10.1248/CPB.24.2644
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Annonaceous acetogenins
Gardnerilin A	10508035	Click to see CCCCCCCCCCCCC(C(CCC(C(CCCCCCC(CCCC(CC1=CC(OC1=O)C)O)O)O)O)O)O	614.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(E)-tetradec-5-en-1-ol	6431325	Click to see CCCCCCCCC=CCCCCO	212.37	unknown	via CMAUP database
6-Tetradecen-1-ol, (E)	6431327	Click to see CCCCCCCC=CCCCCCO	212.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide	5281152	Click to see CCCCCC#CC=CC=CCCC=CC(=O)NCC(C)C	301.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives / Jasmonic acids
Methyl dihydrojasmonate	102861	Click to see CCCCCC1C(CCC1=O)CC(=O)OC	226.31	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
1-O-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	163056233	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(OC3O)COC4C(C(C(C(O4)CO)O)O)O)O)O	977.00	unknown	https://doi.org/10.1248/CPB.55.1643
1-O-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	56841542	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	via CMAUP database
beta-D-gentiobiosyl crocetin	10461942	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)O	652.70	unknown	https://doi.org/10.1021/JF950713E
beta-D-glucosyl crocetin	10368299	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)O	490.50	unknown	https://doi.org/10.1021/JF9603487
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	101662426	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	https://doi.org/10.1021/JF950713E
Bis[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	3510570	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	https://doi.org/10.1021/JF950713E
Crocetin gentiobiosylglucosyl ester	9940690	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O	814.80	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1021/JF9603487
Crocin	5281233	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	https://doi.org/10.1021/JF950713E https://doi.org/10.1021/JF9603487 https://doi.org/10.1021/JF991263J https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1248/CPB.55.1643 https://doi.org/10.1248/BPB.28.2106 https://doi.org/10.1248/CPB.34.1419 https://doi.org/10.1271/BBB.56.1732
Crocin 2	91746171	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O	814.80	unknown	via CMAUP database
Crocin-4	101606290	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC	504.60	unknown	via CMAUP database
Dicrocin	25244294	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	652.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
(2Z,4E,6Z,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid	5385552	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O	328.40	unknown	https://doi.org/10.1081/JLC-100104376
Crocetin	5281232	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O	328.40	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1055/S-2005-871248
Crocetin dimethyl ester	5316132	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)OC	356.50	unknown	via CMAUP database
Crocetin(2-)	25244519	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)[O-])C=CC=C(C)C(=O)[O-]	326.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Linalool, (-)-	443158	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	via CMAUP database
Linalool, (+)-	67179	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	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
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/10.1271/BBB.57.1101
trans-Borneol	44630107	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1271/BBB.57.1101
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
6Beta-Hydroxygenipin	71577496	Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)O	242.22	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
Genipin	442424	Click to see COC(=O)C1=COC(C2C1CC=C2CO)O	226.23	unknown	https://doi.org/10.1080/10826079408013541 https://doi.org/10.1093/OXFORDJOURNALS.PCP.A076506 https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1271/BBB1961.52.869 https://doi.org/10.1248/BPB.33.1343 https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B https://doi.org/10.1248/CPB.39.2057
methyl (1R)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	44144320	Click to see COC(=O)C1=COC(C2C1CC=C2CO)O	226.23	unknown	via CMAUP database
Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	23340	Click to see COC(=O)C1=COC(C2C1CC=C2CO)O	226.23	unknown	https://doi.org/10.1248/BPB.33.1343
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
Eucarvone	136330	Click to see CC1=CC=CC(CC1=O)(C)C	150.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
alpha-Guaiene	5317844	Click to see CC1CCC(CC2=C1CCC2C)C(=C)C	204.35	unknown	via CMAUP database
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-	107152	Click to see CC1CCC(CC2=C1CCC2C)C(=C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-	9859094	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
(1S,4S,4aS,6R,8aR)-decahydro-1,4-dimethyl-6-(prop-1-en-2-yl)naphthalen-1-ol	139584242	Click to see CC1CCC(C2C1CC(CC2)C(=C)C)(C)O	222.37	unknown	https://doi.org/10.1021/JF950713E
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
(2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid	3083593	Click to see CC1=C2C=CC(=C2C=C(C=C1)C(C)C(=O)O)C	228.29	unknown	via CMAUP database
> 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	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol	163191230	Click to see CC1(C2CCC1(C(C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C)C	448.50	unknown	https://doi.org/10.1016/0031-9422(94)85079-8
(5R,8S,8aR)-3,8-dimethyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one	162868513	Click to see CC1CCC(CC2=C(C(=O)CC12)C)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O	398.50	unknown	https://doi.org/10.1002/MRC.2730
(5R)-4,5,6,7,8,8aalpha-Hexahydro-3,8beta-dimethyl-5beta-hydroxy-5-(1-hydroxy-1-methylethyl)-6beta-(beta-D-glucopyranosyloxy)azulene-2(1H)-one	10693932	Click to see CC1CC(C(CC2=C(C(=O)CC12)C)(C(C)(C)O)O)OC3C(C(C(C(O3)CO)O)O)O	430.50	unknown	https://doi.org/10.1248/CPB.48.746
(5S,8S,8aR)-5-hydroxy-3,8-dimethyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4,6,7,8,8a-hexahydroazulen-2-one	162868507	Click to see CC1CCC(CC2=C(C(=O)CC12)C)(C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)O	414.50	unknown	https://doi.org/10.1002/MRC.2730
[(2R,3S,4S,5R,6R)-6-[[(4S,4aS,7aS)-7-(hydroxymethyl)-3-oxo-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	44255333	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OCC3C4CC=C(C4COC3=O)CO)O)O)O	566.50	unknown	via CMAUP database
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E)-3,7-dimethylocta-2,6-dienoate	162989994	Click to see CC(=CCCC(=CC(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C	492.50	unknown	https://doi.org/10.1002/HLCA.200900291
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (2E)-3,7-dimethylocta-2,6-dienoate	162988550	Click to see CC(=CCCC(=CC(=O)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C)C	462.50	unknown	https://doi.org/10.1002/HLCA.200900291
[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 3,7-dimethylocta-2,6-dienoate	162988548	Click to see CC(=CCCC(=CC(=O)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C)C	462.50	unknown	https://doi.org/10.1002/HLCA.200900291
[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 3,7-dimethylocta-2,6-dienoate	162989993	Click to see CC(=CCCC(=CC(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C	492.50	unknown	https://doi.org/10.1002/HLCA.200900291
2-[(3,4,5-Trihydroxyoxan-2-yl)oxymethyl]-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol	73815097	Click to see CC1(C2CCC1(C(C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C)C	448.50	unknown	https://doi.org/10.1016/0031-9422(94)85079-8
2-[[6-(3,7-Dimethylocta-2,6-dienoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	156603004	Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C	478.50	unknown	https://doi.org/10.1002/HLCA.200900291
5-Hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one	75614553	Click to see CC1CC(C(CC2=C(C(=O)CC12)C)(C(C)(C)O)O)OC3C(C(C(C(O3)CO)O)O)O	430.50	unknown	https://doi.org/10.1248/CPB.48.746
Jasminoside	23786444	Click to see COC(=O)CC1C(=COC(C1=CCOC(=O)C=CC2=CC=CC=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O	550.50	unknown	via CMAUP database
Jasminoside N	101505270	Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C	478.50	unknown	https://doi.org/10.1002/HLCA.200900291
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides
trans-Crocetin beta-D-gentiobioside	102112543	Click to see CC1C(C(C(OC1COC2C(C(C(C(O2)CO)O)O)O)OC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C)O)C	632.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid	163193649	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(CC=C4CO)C(=CO3)C(=O)O)O)O)O	580.50	unknown	https://doi.org/10.1002/HLCA.200890068
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	154497057	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	376.36	unknown	https://doi.org/10.1021/NP0580816
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde	21603216	Click to see CC1(CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O	360.36	unknown	https://doi.org/10.1021/NP0580816 https://doi.org/10.1248/CPB.51.1417
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde	161786273	Click to see CC1(CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O	360.36	unknown	https://doi.org/10.1248/CPB.51.1417
(1S,4aS,7S,7aS)-7-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[d]pyran-4-carboxylic acid methyl ester	138113473	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1080/10826079408013541 https://doi.org/10.1248/BPB.19.160 https://doi.org/10.1248/CPB.31.4185 https://doi.org/10.1016/S0031-9422(00)81686-6 https://doi.org/10.1248/CPB.33.4228 https://doi.org/10.1248/CPB.39.2057 https://doi.org/10.1016/S0021-9673(01)82148-8 https://doi.org/10.1248/CPB.51.1417
(1S,7S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde	10067054	Click to see CC1(CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O	360.36	unknown	via CMAUP database
(1S)-1-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-7alpha-hydroxy-7-methylcyclopenta[c]pyran-4-carbaldehyde	72746025	Click to see CC1(CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O	360.36	unknown	https://doi.org/10.1248/CPB.51.1417 https://doi.org/10.1021/NP0580816
(1S)-1alpha-[6-O-(alpha-L-Rhamnopyranosyl)-beta-D-glucopyranosyloxy]-7-(hydroxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester	24878902	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C4C(CC=C4CO)C(=CO3)C(=O)OC)O)O)O)O)O)O	534.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
(1S)-1alpha-[6-O-[(E)-3,5-Dimethoxy-4-hydroxycinnamoyl]-beta-D-glucopyranosyloxy]-7-(hydroxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester	46883088	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(CC=C4CO)C(=CO3)C(=O)OC)O)O)O	594.60	unknown	via CMAUP database
(1S)-1alpha-[6-O-[(E)-4-Hydroxycinnamoyl]-beta-D-glucopyranosyloxy]-7-(hydroxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester	44255238	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)O)O	534.50	unknown	via CMAUP database
(4aR,7R,7aR)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	11968937	Click to see CC1(CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O	392.35	unknown	via CMAUP database
[(3aalpha,7aalpha)-3alpha-(Hydroxymethyl)-3beta-methoxy-7-(methoxycarbonyl)-5-oxahydrindane-1,6-diene-4alpha-yl]beta-D-glucopyranoside	101243871	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)OC)OC3C(C(C(C(O3)CO)O)O)O	418.40	unknown	https://doi.org/10.1248/CPB.51.1417
1-[(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]-2-hydroxyethanone	45358128	Click to see C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)CO)CO	388.40	unknown	via CMAUP database
10-O-Acetylgeniposide	6324916	Click to see CC(=O)OCC1=CCC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O	430.40	unknown	https://doi.org/10.1021/NP900176Q
10-O-succinoylgeniposide	44255239	Click to see COC(=O)C1=COC(C2C1CC=C2COC(=O)CCC(=O)O)OC3C(C(C(C(O3)CO)O)O)O	488.40	unknown	https://doi.org/10.1021/NP900176Q
2-(Hydroxymethyl)-6-[[7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]oxane-3,4,5-triol	14081905	Click to see C1C=C(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)CO	330.33	unknown	https://doi.org/10.1002/HLCA.200890068
5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	14378605	Click to see CC1(CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O	392.35	unknown	https://doi.org/10.1021/NP0580816 https://doi.org/10.1002/RCM.4643
6'-O-acetylgeniposide	44253991	Click to see CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC=C3CO)C(=CO2)C(=O)OC)O)O)O	430.40	unknown	https://doi.org/10.1021/NP900176Q
6'-O-P-Coumaroylgenipin gentiobioside	6324973	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O	696.60	unknown	https://doi.org/10.1002/HLCA.200890068
6alpha-Hydroxygeniposide; Deacetylasperulosidic acid methyl ester	3515876	Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1002/HLCA.200890068 https://doi.org/10.1021/NP0580816 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/CPB.51.1417
7-(Hydroxymethyl)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5beta-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester	11968747	Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	via CMAUP database
7-(Hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid	323273	Click to see C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO	374.34	unknown	https://doi.org/10.1002/RCM.4643
7-(Hydroxymethyl)-1-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid	162989220	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(CC=C4CO)C(=CO3)C(=O)O)O)O)O	580.50	unknown	https://doi.org/10.1002/HLCA.200890068
7-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	13878352	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	376.36	unknown	https://doi.org/10.1021/NP0580816
8-Epiapodantheroside	11372643	Click to see COC(=O)C1=COC(C2C1C=CC2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	https://doi.org/10.1248/CPB.51.1417
Bartsioside, >=95% (LC/MS-ELSD)	10359257	Click to see C1C=C(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)CO	330.33	unknown	https://doi.org/10.1002/HLCA.200890068
CID 12004581	12004581	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	via CMAUP database
CID 24721095	24721095	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	via CMAUP database
Deacetyl asperulosidic acid methyl ester	6325021	Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1002/HLCA.200890068 https://doi.org/10.1021/NP0580816 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/CPB.51.1417
Deacetylasperulosidic acid	12315350	Click to see C1=C(C2C(C1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO	390.34	unknown	https://doi.org/10.1248/CPB.39.2057 https://doi.org/10.1002/RCM.4643
Desacetyl asperulosidic acid	12315348	Click to see C1=C(C2C(C1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO	390.34	unknown	https://doi.org/10.1002/RCM.4643
Galioside	185774	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1248/CPB.51.1417 https://doi.org/10.1002/BMC.3223 https://doi.org/10.1021/NP0580816
Gardenoside	442423	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1080/10826079408013541 https://doi.org/10.1248/BPB.19.160 https://doi.org/10.1248/CPB.31.4185 https://doi.org/10.1016/S0031-9422(00)81686-6 https://doi.org/10.1248/CPB.33.4228 https://doi.org/10.1248/CPB.39.2057 https://doi.org/10.1016/S0021-9673(01)82148-8 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/CPB.51.1417
Genameside C	11692460	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O	550.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
Genameside D	11570273	Click to see COC(=O)C1=COC(C2C1CC=C2COC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O	550.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
Genipin 1-gentiobioside	3082301	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	550.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/CPB.39.2057 https://doi.org/10.1002/HLCA.200890068 https://doi.org/10.1021/NP0580816 https://doi.org/10.1248/CPB.21.2684 https://doi.org/10.1248/CPB.34.1419
Geniposide	107848	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/BPB.29.174 https://doi.org/10.1248/CPB.39.2057 https://doi.org/10.1248/BPB.19.160 https://doi.org/10.1055/S-2004-818978 https://doi.org/10.1016/S0021-9673(01)82148-8 https://doi.org/10.1002/HLCA.200890068 https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B https://doi.org/10.1248/CPB.21.2684 https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1021/NP0580816 https://doi.org/10.1248/BPB.28.2106 https://doi.org/10.1021/NP050447R https://doi.org/10.1021/JF00042A002 https://doi.org/10.1248/CPB.34.1419 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1016/0378-4274(88)90144-0 https://doi.org/10.1021/NP900176Q https://doi.org/10.1248/YAKUSHI1947.105.10_996 https://doi.org/10.1248/CPB.51.1417 https://doi.org/10.1021/JF000978F https://doi.org/10.1080/10826079408013541
Geniposidic acid	443354	Click to see C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO	374.34	unknown	https://doi.org/10.1016/S0021-9673(01)82148-8 https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B https://doi.org/10.1002/RCM.4643 https://doi.org/10.1021/NP050447R https://doi.org/10.1080/10826079408013541
methyl (1R,4aR,7R,7aR)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate	53297356	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	via CMAUP database
methyl (1S,4aR,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate	129384808	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1248/CPB.51.1417
methyl (1S,4aR,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate	161728207	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1248/CPB.51.1417
methyl (1S,4aS,5R,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	102507166	Click to see CCCCOC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO	460.50	unknown	https://doi.org/10.1248/CPB.46.1295
methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	162848640	Click to see COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO	418.40	unknown	https://doi.org/10.1248/CPB.51.1417
methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate	49775358	Click to see CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O	406.40	unknown	via CMAUP database
methyl (1S,4aS,5S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	101854735	Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O	566.50	unknown	https://doi.org/10.1002/HLCA.200890068
methyl (1S,4aS,5S,7aS)-5-butoxy-1-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	163190966	Click to see CCCCOC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)C(=O)OC)CO	768.80	unknown	https://doi.org/10.1248/CPB.46.1295
methyl (1S,4aS,5S,7aS)-5-butoxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	102507165	Click to see CCCCOC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO	460.50	unknown	https://doi.org/10.1248/CPB.46.1295
methyl (1S,4aS,5S,7aS)-7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	102262675	Click to see COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO	418.40	unknown	https://doi.org/10.1248/CPB.51.1417 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
methyl (1S,4aS,7aR)-7-(hydroxymethyl)-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	51066531	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	via CMAUP database
methyl (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	101854734	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)OC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O	696.60	unknown	https://doi.org/10.1002/HLCA.200890068
methyl (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	71552450	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O	520.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
methyl (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	71552449	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O)O)O	712.60	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	16760120	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	via CMAUP database
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	71552451	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O	520.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	10842393	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O	696.60	unknown	via CMAUP database
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	71720357	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	550.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	78358483	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	via CMAUP database
methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate	163096358	Click to see COC(=O)C1=COC(C2C1CCC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	406.40	unknown	https://doi.org/10.1021/NP0580816
methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate	331642	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	via CMAUP database
methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate	17751041	Click to see CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O	406.40	unknown	via CMAUP database
methyl (1S,7S)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate	44202881	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	via CMAUP database
methyl (4aR,7aS)-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	137706142	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	https://doi.org/10.1248/CPB.39.2057 https://doi.org/10.1248/BPB.19.160 https://doi.org/10.1055/S-2004-818978 https://doi.org/10.1016/S0021-9673(01)82148-8 https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B https://doi.org/10.1021/JF00042A002 https://doi.org/10.1248/CPB.34.1419 https://doi.org/10.1016/0378-4274(88)90144-0 https://doi.org/10.1021/NP900176Q https://doi.org/10.1248/CPB.51.1417 https://doi.org/10.1248/YAKUSHI1947.105.10_996 https://doi.org/10.1080/10826079408013541
Methyl 1-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	163021096	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)OC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O	696.60	unknown	https://doi.org/10.1002/HLCA.200890068
Methyl 1-[6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	163002167	Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O	566.50	unknown	https://doi.org/10.1002/HLCA.200890068
Methyl 5-butoxy-1-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	162884252	Click to see CCCCOC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)C(=O)OC)CO	768.80	unknown	https://doi.org/10.1248/CPB.46.1295
Methyl 5-butoxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	162903545	Click to see CCCCOC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO	460.50	unknown	https://doi.org/10.1248/CPB.46.1295
methyl 5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate	13892721	Click to see CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O	406.40	unknown	https://doi.org/10.1002/RCM.4643
Methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	3515873	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	https://doi.org/10.1248/BPB.28.2106 https://doi.org/10.1002/HLCA.200890068 https://doi.org/10.1021/JF000978F https://doi.org/10.1021/NP0580816 https://doi.org/10.1248/CPB.21.2684 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/BPB.29.174 https://doi.org/10.1248/CPB.51.1417
Methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	72821258	Click to see COC(=O)C1=COC(C2C1C=CC2CO)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	https://doi.org/10.1248/CPB.51.1417
Methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	74029668	Click to see COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O	696.60	unknown	https://doi.org/10.1002/HLCA.200890068
Methyl 7-(hydroxymethyl)-5-methoxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate	162848639	Click to see COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO	418.40	unknown	https://doi.org/10.1248/CPB.51.1417 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008
methyl 7-(hydroxymethyl)-7-methoxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate	162871830	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)OC)OC3C(C(C(C(O3)CO)O)O)O	418.40	unknown	https://doi.org/10.1248/CPB.51.1417
methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate	131860114	Click to see COC(=O)C1=COC(C2C1CCC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	406.40	unknown	https://doi.org/10.1021/NP0580816
methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate	100058	Click to see COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/CPB.51.1417 https://doi.org/10.1021/NP0580816
Mussaenosidic acid	21633105	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	376.36	unknown	https://doi.org/10.1021/NP0580816
Scandoside methyl ester	442433	Click to see COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	404.40	unknown	https://doi.org/10.1002/HLCA.200890068 https://doi.org/10.1016/J.BMCL.2012.11.099 https://doi.org/10.1021/NP0580816 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/CPB.51.1417
Shanzhiside	11948668	Click to see CC1(CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O	392.35	unknown	https://doi.org/10.1002/RCM.4643 https://doi.org/10.1021/NP0580816
Shanzhiside methyl ester	13892722	Click to see CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O	406.40	unknown	https://doi.org/10.1002/RCM.4643
Shanzhiside-methylester	3085296	Click to see CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O	406.40	unknown	via CMAUP database
Tarennoside	182279	Click to see C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C=O)CO	358.34	unknown	https://doi.org/10.1248/CPB.31.4185 https://doi.org/10.1016/S0031-9422(00)81686-6 https://doi.org/10.1248/CPB.33.4228
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
Trachelosperoside A-1	21637743	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O	680.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
(3R,3aS,7R,10E,11aS)-3,10-Dimethyl-6-methylene-7-hydroxy-2,3,3a,4,5,6,7,8,9,11a-decahydrocyclodeca[b]furan-2-one	13821246	Click to see CC1C2CCC(=C)C(CCC(=CC2OC1=O)C)O	250.33	unknown	via CMAUP database
(4S,4aS,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-3-one	5317525	Click to see CC1(C2CC=C(C2COC1=O)CO)CO	212.24	unknown	via CMAUP database
(4S,4aS,7aS)-4,7-bis(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one	101675239	Click to see C1C=C(C2C1C(C(=O)OC2)CO)CO	198.22	unknown	https://doi.org/10.1016/S0031-9422(00)89532-1
[(2R,3S,4S,5R,6R)-6-[[(4S,4aS,7aS)-4-(hydroxymethyl)-3-oxo-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	44253992	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OCC3=CCC4C3COC(=O)C4CO)O)O)O	566.50	unknown	via CMAUP database
4,7-bis(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one	130146212	Click to see C1C=C(C2C1C(C(=O)OC2)CO)CO	198.22	unknown	https://doi.org/10.1016/S0031-9422(00)89532-1
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
(3R)-3abeta,4,5,5a,6,7,8,9,9abeta,9balpha-Decahydro-3alpha,5aalpha,9-trimethyl-6alpha,9beta-dihydroxynaphtho[1,2-b]furan-2(3H)-one	14110909	Click to see CC1C2CCC3(C(CCC(C3C2OC1=O)(C)O)O)C	268.35	unknown	via CMAUP database
Dihydrosantamarin	13895713	Click to see CC1C2CCC3(C(CC=C(C3C2OC1=O)C)O)C	250.33	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
Costunolide derivative	54607887	Click to see CC1C2CCC(=CCC(C(=CC2OC1=O)C)O)C	250.33	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid	45358157	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	456.70	unknown	via CMAUP database
(25R)-5alpha-spirostan-3beta,6alpha-diol	52931478	Click to see CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C	448.70	unknown	via CMAUP database
(4aS,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	53487826	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C	472.70	unknown	via CMAUP database
(5R,8R,9S,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	12309262	Click to see CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C	442.70	unknown	via CMAUP database
[(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-4-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] dodecanoate	163050706	Click to see CCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(CCC5(C(CC4(C3(CCC2C1(C)C)C)C)O)CO)C(=C)C)C	641.00	unknown	https://doi.org/10.1021/NP0580816 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.008 https://doi.org/10.1002/RCM.4643 https://doi.org/10.1248/CPB.21.2684 https://doi.org/10.1002/HLCA.200890068
2alpha,3beta,19alpha-Trihydroxyolean-12-ene-24,28-dioic acid 28-beta-D-glucopyranosyl ester	101673896	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C	680.80	unknown	via CMAUP database
3-beta-O-(cis-p-Coumaroyl)maslinic acid	101001054	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C	618.80	unknown	via CMAUP database
3alpha-Acetoxyfriedelane	13688749	Click to see CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)OC(=O)C	470.80	unknown	via CMAUP database
Friedelin	91472	Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C	426.70	unknown	via CMAUP database
Glutinol	9932254	Click to see CC1(CCC2(CCC3(C4CC=C5C(C4(CCC3(C2C1)C)C)CCC(C5(C)C)O)C)C)C	426.70	unknown	via CMAUP database
Glutinone	10071029	Click to see CC1(CCC2(CCC3(C4CC=C5C(C4(CCC3(C2C1)C)C)CCC(=O)C5(C)C)C)C)C	424.70	unknown	via CMAUP database
Stigmasteryl ferulate	15056831	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C)C(C)C	588.90	unknown	https://doi.org/10.1021/JF950713E https://doi.org/10.1021/JF9603487
Ursolic acid (Malol)	49867942	Click to see CC1CC(C2CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	456.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Azasteroids and derivatives
(8S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine	5316134	Click to see CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NC)C)C)N(C)C	358.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
Gardenolic acid B	45273405	Click to see CC(CC(=O)C=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C	486.70	unknown	https://doi.org/10.1351/PAC198658050811
Wwihqmxkphuikr-uvfbovlqsa-	10649269	Click to see CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C	506.70	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	52940117	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
(3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene	50930798	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C)C)C)C(C)C	410.70	unknown	via CMAUP database
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
Stigmasta-5,22-dien-3beta-yl alpha-D-glucopyranoside	101689889	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	574.80	unknown	via CMAUP database
> Mixed metal/non-metal compounds / Metalloid salts / Metalloid chlorides
Antimony(3+);trichloride	10220195	Click to see [Cl-].[Cl-].[Cl-].[Sb+3]	228.11	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters
1-(tert-Butyl) 2-methyl (2S,3R)-3-hydroxypiperidine-1,2-dicarboxylate	59754228	Click to see CC(C)(C)OC(=O)N1CCCC(C1C(=O)OC)O	259.30	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters / Alpha-amino acyl ester of carbohydrates
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-aminopropanoate	11843136	Click to see CC(C(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)O)CO)CO)O)O)N	413.37	unknown	https://doi.org/10.1021/NP050447R
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
3,4-Dihydroxypipecolic acid	14523449	Click to see C1CNC(C(C1O)O)C(=O)O	161.16	unknown	via CMAUP database
Betaine	247	Click to see C[N+](C)(C)CC(=O)[O-]	117.15	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
(2S)-pyrrolidin-1-ium-2-carboxylate	6971047	Click to see C1CC([NH2+]C1)C(=O)[O-]	115.13	unknown	via CMAUP database
Betonicine	164642	Click to see C[N+]1(CC(CC1C(=O)[O-])O)C	159.18	unknown	via CMAUP database
Stachydrine	115244	Click to see C[N+]1(CCCC1C(=O)[O-])C	143.18	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters / Methyl esters
Methyl 2-(2-butyl-4-oxocyclopentyl)acetate	21862951	Click to see CCCCC1CC(=O)CC1CC(=O)OC	212.28	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
2-acetyloxy-2-[(3S,4R)-3-hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]furan-4-yl]acetic acid	5317551	Click to see CC(=O)OC(C1CCC2=C1C(OC2)O)C(=O)O	242.22	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Hexacarboxylic acids and derivatives
[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] (4R)-4-acetyloxy-2,6,6-trimethylcyclohexene-1-carboxylate	10745355	Click to see CC1=C(C(CC(C1)OC(=O)C)(C)C)C(=O)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	556.60	unknown	https://doi.org/10.1248/CPB.48.746
[3,4,5-Triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 4-acetyloxy-2,6,6-trimethylcyclohexene-1-carboxylate	85253409	Click to see CC1=C(C(CC(C1)OC(=O)C)(C)C)C(=O)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	556.60	unknown	https://doi.org/10.1248/CPB.48.746
Pentaacetyl geniposide	162083	Click to see CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC=C3COC(=O)C)C(=CO2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C	598.50	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives
(3R)-4-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid	5316646	Click to see CC(CC(=O)O)(CC(=O)OC1C(CC(CC1OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	660.60	unknown	via CMAUP database
Methyl 3,5-di-O-caffeoyl-4-O-(3-hydroxy-3-methyl)-glutaroylquinate	11693219	Click to see CC(CC(=O)O)(CC(=O)OC1C(CC(CC1OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)OC)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	674.60	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
methyl (1S,5S)-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate	10611205	Click to see COC(=O)C1C(CC=C1CO)C(CO)C(=O)OC	258.27	unknown	https://doi.org/10.1248/CPB.48.746
methyl (1S,5S)-5-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate	163048430	Click to see COC(=O)C1C(CC=C1CO)C(CO)C(=O)OC	258.27	unknown	https://doi.org/10.1248/CPB.48.746
Methyl 5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate	85205051	Click to see COC(=O)C1C(CC=C1CO)C(CO)C(=O)OC	258.27	unknown	https://doi.org/10.1248/CPB.48.746
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
Choline	305	Click to see C[N+](C)(C)CCO	104.17	unknown	via CMAUP database
> Organic oxygen compounds / Organic oxides
Safranal	61041	Click to see CC1=C(C(CC=C1)(C)C)C=O	150.22	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(1R,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid	101522313	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O	560.50	unknown	https://doi.org/10.1248/CPB.36.87
(1S,3R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid	5315604	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O	560.50	unknown	https://doi.org/10.1248/CPB.36.87 https://doi.org/10.1007/S12272-012-0101-3
1,4-Dicaffeoylquinic acid	12358846	Click to see C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	516.40	unknown	via CMAUP database
3-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxy-4-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid	73154492	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O	560.50	unknown	https://doi.org/10.1248/CPB.35.2133
3-O-Caffeoyl-4-O-sinapoylquinic acid	11962122	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O	560.50	unknown	https://doi.org/10.1248/CPB.35.2133
3,4-Dicaffeoylquinic acid	6474309	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	516.40	unknown	https://doi.org/10.1021/NP050447R
3,5-Di-caffeoylquinic acid	13604688	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O	516.40	unknown	via CMAUP database
4,5-Dicaffeoyl quinic acid	13887346	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	516.40	unknown	via CMAUP database
4,5-Dicaffeoylquinic acid	5281780	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	516.40	unknown	via CMAUP database
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/10.1248/CPB.36.87
Chlorogensaure	12310830	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	via CMAUP database
cis-Chlorogenic acid	1794425	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	via CMAUP database
Cryptochlorogenic acid	9798666	Click to see C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O	354.31	unknown	via CMAUP database
Dicaffeoyl quinic acid	13604687	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O	516.40	unknown	via CMAUP database
ethyl 5-O-caffeoyl-3-O-sinapoylquinate	11699888	Click to see CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C(=C2)OC)O)OC)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	588.60	unknown	https://doi.org/10.1021/NP050447R
ethyl 5-O-caffeoyl-4-O-sinapoylquinate	11512664	Click to see CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O	588.60	unknown	https://doi.org/10.1021/NP050447R
Ethyl chlorogenate	11326520	Click to see CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O	382.40	unknown	https://doi.org/10.1021/NP050447R
Isochlorogenic acid	5315832	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	via CMAUP database
Isochlorogenic acid A	6474310	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O	516.40	unknown	via CMAUP database
methyl 5-O-caffeoyl-3-O-sinapoylquinate	11671431	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2CC(CC(C2O)OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)OC)O	574.50	unknown	https://doi.org/10.1021/NP050447R
methyl 5-O-caffeoyl-4-O-sinapoylquinate	11635556	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)OC)O)O	574.50	unknown	https://doi.org/10.1021/NP050447R
Neochlorogenic acid	5280633	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	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Shikimic acids and derivatves
(+)-Shikimic acid	10986763	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid	1094	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
Bracken fern toxic component	49867941	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
Shikimic acid	8742	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
Inositol	892	Click to see C1(C(C(C(C(C1O)O)O)O)O)O	180.16	unknown	via CMAUP database
Quercitol	441437	Click to see C1C(C(C(C(C1O)O)O)O)O	164.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucosinolates / Alkylglucosinolates
Glucoiberin	9548622	Click to see CS(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	423.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	154496616	Click to see C=C1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	374.34	unknown	https://doi.org/10.1016/0031-9422(74)85031-4
(1S)-1alpha-(beta-D-Glucopyranosyloxy)-7-(hydroxymethyl)-6alpha,7alpha-epoxy-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester	11418267	Click to see COC(=O)C1=COC(C2C1CC3C2(O3)CO)OC4C(C(C(C(O4)CO)O)O)O	404.40	unknown	https://doi.org/10.1248/CPB.51.1417
(4R)-3,5,5-trimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	154496807	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C	330.37	unknown	https://doi.org/10.1021/NP800002Z
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	154496808	Click to see CC1(CC(=O)C=C(C1COC2C(C(C(C(O2)CO)O)O)O)CO)C	346.37	unknown	https://doi.org/10.1021/NP0580816
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	11523073	Click to see CC1(CC(=O)C=C(C1COC2C(C(C(C(O2)CO)O)O)O)CO)C	346.37	unknown	https://doi.org/10.1021/NP0580816
(4S)-3,5,5-trimethyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	154496516	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C	330.37	unknown	https://doi.org/10.1021/NP800002Z
(4S)-3,5,5-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	102596096	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)(C)C	492.50	unknown	https://doi.org/10.1021/NP800002Z
(4S)-3,5,5-trimethyl-4-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]methoxy]cyclohex-2-en-1-one	162969161	Click to see CC1=CC(=O)CC(C1OCC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)(C)C	492.50	unknown	https://doi.org/10.1021/NP800002Z
(4S)-4-(hydroxymethyl)-5,5-dimethyl-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	125181854	Click to see CC1(CC(=O)C=C(C1CO)COC2C(C(C(C(O2)CO)O)O)O)C	346.37	unknown	https://doi.org/10.1021/NP800002Z
(4S)-4-[(beta-D-Glucopyranosyloxy)methyl]-3,5,5-trimethyl-2-cyclohexen-1-one	95789921	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C	330.37	unknown	https://doi.org/10.1248/CPB.46.1295 https://doi.org/10.1021/NP800002Z
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate	162863726	Click to see CC1=C(C(CCC1)(C)C)C(=O)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O	462.50	unknown	https://doi.org/10.1002/HLCA.200900291
[(4S,7S,8S)-4-methyl-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate	11968866	Click to see CC(=O)OCC1=CC2(C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O)C	428.40	unknown	via CMAUP database
[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate	45783035	Click to see CC1=C(C(CCC1)(C)C)C(=O)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O	462.50	unknown	https://doi.org/10.1002/HLCA.200900291
2,4,4-trimethyl-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]methoxy]cyclohex-2-en-1-one	154496809	Click to see CC1=C(C(CCC1=O)(C)C)OCC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	492.50	unknown	https://doi.org/10.1021/NP800002Z
2,4,4-Trimethyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	73815075	Click to see CC1=C(C(CCC1=O)(C)C)COC2C(C(C(C(O2)CO)O)O)O	330.37	unknown	https://doi.org/10.1248/CPB.46.1295
2,4,4-Trimethyl-3-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	162946216	Click to see CC1=C(C(CCC1=O)(C)C)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	492.50	unknown	https://doi.org/10.1021/NP800002Z
3-(beta-d-Glucopyranosyloxymethyl)-2,4,4-trimethyl-2-cyclohexen-1-one	21631030	Click to see CC1=C(C(CCC1=O)(C)C)COC2C(C(C(C(O2)CO)O)O)O	330.37	unknown	https://doi.org/10.1248/CPB.46.1295
3-(Hydroxymethyl)-5,5-dimethyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	72993954	Click to see CC1(CC(=O)C=C(C1COC2C(C(C(C(O2)CO)O)O)O)CO)C	346.37	unknown	https://doi.org/10.1021/NP0580816
3,5,5-Trimethyl-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	162888798	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)(C)C	492.50	unknown	https://doi.org/10.1021/NP800002Z
4-(Hydroxymethyl)-5,5-dimethyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	137796439	Click to see CC1(CC(=O)C=C(C1CO)COC2C(C(C(C(O2)CO)O)O)O)C	346.37	unknown	https://doi.org/10.1021/NP0580816 https://doi.org/10.1248/CPB.46.1295 https://doi.org/10.1021/NP800002Z
4-Hydroxy-2,6,6-trimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde	162896037	Click to see CC1=C(C(CC(C1OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)C=O	346.37	unknown	https://doi.org/10.1248/CPB.46.1295
5,5-dimethyl-4-methylidene-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	102507169	Click to see CC1(CC(=O)C=C(C1=C)COC2C(C(C(C(O2)CO)O)O)O)C	328.36	unknown	https://doi.org/10.1002/HLCA.200900291 https://doi.org/10.1248/CPB.46.1295
5,5-Dimethyl-4-methylidene-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one	163050208	Click to see CC1(CC(=O)C=C(C1=C)COC2C(C(C(C(O2)CO)O)O)O)C	328.36	unknown	https://doi.org/10.1002/HLCA.200900291 https://doi.org/10.1248/CPB.46.1295
6-hydroxy-7-methylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde	73035923	Click to see C=C1C(CC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O	358.34	unknown	https://doi.org/10.1021/NP0580816
6-hydroxy-7-methylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	73981590	Click to see C=C1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	374.34	unknown	https://doi.org/10.1002/RCM.4643
Epijasminoside A	76551288	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C	330.37	unknown	https://doi.org/10.1248/CPB.46.1295 https://doi.org/10.1021/NP800002Z
Gardaloside	11631807	Click to see C=C1C(CC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O	358.34	unknown	https://doi.org/10.1021/NP0580816
Gardoside	46173850	Click to see C=C1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	374.34	unknown	https://doi.org/10.1002/RCM.4643
Gardoside methyl ester	51692952	Click to see COC(=O)C1=COC(C2C1CC(C2=C)O)OC3C(C(C(C(O3)CO)O)O)O	388.40	unknown	via CMAUP database
Glc(b1-6)b-Glc1Me	13093581	Click to see COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O	356.32	unknown	https://doi.org/10.1002/(SICI)1521-4168(19980901)21:9<523::AID-JHRC523>3.0.CO;2-B
Jasminoside A	98050833	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C	330.37	unknown	https://doi.org/10.1248/CPB.46.1295 https://doi.org/10.1021/NP800002Z
Jasminoside B	102507168	Click to see CC1(CC(=O)C=C(C1CO)COC2C(C(C(C(O2)CO)O)O)O)C	346.37	unknown	https://doi.org/10.1021/NP0580816 https://doi.org/10.1248/CPB.46.1295 https://doi.org/10.1021/NP800002Z
Jasminoside D	102507170	Click to see CC1=C(C(CC(C1OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)C=O	346.37	unknown	https://doi.org/10.1248/CPB.46.1295
Jasminoside I	102596097	Click to see CC1=C(C(CCC1=O)(C)C)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	492.50	unknown	https://doi.org/10.1021/NP800002Z
jasminoside R	71552546	Click to see CC1=C(C(CC=C1)(C)C)C(=O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	490.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
jasminoside S	71552547	Click to see CC1=C(C(CCC1)(C)C)C(=O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	492.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
jasminoside T	71552548	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)(C)C	462.50	unknown	https://doi.org/10.1016/J.BMCL.2012.11.099
Methyl 2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate	72953731	Click to see COC(=O)C1=COC(C2C1CC3C2(O3)CO)OC4C(C(C(C(O4)CO)O)O)O	404.40	unknown	https://doi.org/10.1248/CPB.51.1417
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
Salicin	439503	Click to see C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O	286.28	unknown	https://doi.org/10.1016/S0031-9422(00)86961-7
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate	10807517	Click to see CC1=C(C(CC(C1)O)(C)C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	346.37	unknown	https://doi.org/10.1248/CPB.48.746
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate	101505271	Click to see CC1=C(C(CC=C1)(C)C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	328.36	unknown	https://doi.org/10.1002/HLCA.200900291
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate	163014973	Click to see CC1=C(C(CCC1)(C)C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	330.37	unknown	https://doi.org/10.1002/HLCA.200900291
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate	162995843	Click to see CC1=C(C(CC=C1)(C)C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	328.36	unknown	https://doi.org/10.1002/HLCA.200900291
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate	163014972	Click to see CC1=C(C(CCC1)(C)C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	330.37	unknown	https://doi.org/10.1002/HLCA.200900291
> 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://doi.org/10.1248/CPB.40.942
Mannitol	6251	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	https://doi.org/10.1248/CPB.40.942
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
Cerbinal	13786166	Click to see COC(=O)C1=COC=C2C1=CC=C2C=O	204.18	unknown	https://doi.org/10.1271/BBB1961.50.2655
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2-Hepten-1-al	17167	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2-Heptenal	5283316	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2-Heptenal, (Z)-	5362616	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2,4-Decadienal	5283349	Click to see CCCCCC=CC=CC=O	152.23	unknown	via CMAUP database
Deca-2,4-dienal	16899	Click to see CCCCCC=CC=CC=O	152.23	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
(E)-jasmone	1549019	Click to see CCC=CCC1=C(CCC1=O)C	164.24	unknown	via CMAUP database
(R)-2,2,6-Trimethylcyclohexanone	6999893	Click to see CC1CCCC(C1=O)(C)C	140.22	unknown	via CMAUP database
(S)-2,2,6-Trimethylcyclohexanone	6992946	Click to see CC1CCCC(C1=O)(C)C	140.22	unknown	via CMAUP database
2,2,6-Trimethylcyclohexanone	17000	Click to see CC1CCCC(C1=O)(C)C	140.22	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
2,4,4-Trimethyl-3-hydroxymethylcyclohex-2-en-1-one	14676448	Click to see CC1=C(C(CCC1=O)(C)C)CO	168.23	unknown	https://doi.org/10.1002/HLCA.200900291
3,4-Bis(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one	74348149	Click to see CC1(CC(=O)C=C(C1CO)CO)C	184.23	unknown	https://doi.org/10.1021/NP800002Z
4-(Hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one	85401037	Click to see CC1=CC(=O)CC(C1CO)(C)C	168.23	unknown	https://doi.org/10.1021/NP800002Z
Crocusatin C	11105753	Click to see CC1=CC(=O)CC(C1CO)(C)C	168.23	unknown	https://doi.org/10.1021/NP800002Z
Jasminodiol	24896698	Click to see CC1(CC(=O)C=C(C1CO)CO)C	184.23	unknown	https://doi.org/10.1021/NP800002Z
> Organoheterocyclic compounds / Azobenzenes
(1E)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one	5379348	Click to see C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C(=O)C=CC4=CC=CC=C43	352.40	unknown	via CMAUP database
(1Z)-1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one	5809667	Click to see C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C(=O)C=CC4=CC=CC=C43	352.40	unknown	via CMAUP database
1-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalen-2-one	6789251	Click to see C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C(=O)C=CC4=CC=CC=C43	352.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Benzofuranones
5-hydroxy-3-[9-(2-hydroxy-5-methyloxolan-2-yl)nonyl]-7-methoxy-3H-2-benzofuran-1-one	14488657	Click to see CC1CCC(O1)(CCCCCCCCCC2C3=C(C(=CC(=C3)O)OC)C(=O)O2)O	406.50	unknown	https://doi.org/10.1021/JF9603487
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
1,5-Dihydroxy-6-(beta-D-glucopyranosyloxy)xanthone	5316845	Click to see C1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O	406.30	unknown	via CMAUP database
> Organoheterocyclic compounds / Cycloheptafurans
(3S)-2-Oxo-3beta,6,9-trimethyl-2,3,3abeta,5,6,9balpha-hexahydro-4H-cyclohepta[2,1-b:3,4-c']difuran-4beta,6alpha-diol 4-acetate	15127111	Click to see CC1C2C(CC(C3=COC(=C3C2OC1=O)C)(C)O)OC(=O)C	308.33	unknown	via CMAUP database
Angeloyloxaartabsin	102008484	Click to see CC=C(C)C(=O)OC1CC(C2=COC(=C2C3C1C(C(=O)O3)C)C)(C)O	348.40	unknown	via CMAUP database
Tigloyloxaartabsin	102008485	Click to see CC=C(C)C(=O)OC1CC(C2=COC(=C2C3C1C(C(=O)O3)C)C)(C)O	348.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Pentylfuran	19602	Click to see CCCCCC1=CC=CO1	138.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles / 3-methylindoles
3-Methylindole	6736	Click to see CC1=CNC2=CC=CC=C12	131.17	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolines
methyl (1S,3R,4S,9S,11S,14S,15S,18R)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadecane-18-carboxylate	162996848	Click to see CCC1CN(C2CC3C4CCCCC4NC3C(=O)CC1C2C(=O)OC)C	362.50	unknown	https://doi.org/10.1021/JF9603487
> Organoheterocyclic compounds / Isobenzofurans
(3R,3aS,7aR)-3-ethoxy-7,7-dimethyl-1,3,3a,4,6,7a-hexahydro-2-benzofuran-5-one	45094293	Click to see CCOC1C2CC(=O)CC(C2CO1)(C)C	212.28	unknown	https://doi.org/10.1016/S0031-9422(00)89532-1
(3S,3aS)-3-ethoxy-3,7,7-trimethyl-3a,4,6,7a-tetrahydro-1H-2-benzofuran-5-one	5317526	Click to see CCOC1(C2CC(=O)CC(C2CO1)(C)C)C	226.31	unknown	via CMAUP database
3-Ethoxy-7,7-dimethyl-1,3,3a,4,6,7a-hexahydro-2-benzofuran-5-one	75089384	Click to see CCOC1C2CC(=O)CC(C2CO1)(C)C	212.28	unknown	https://doi.org/10.1016/S0031-9422(00)89532-1
> Organoheterocyclic compounds / Isoindoles and derivatives / Isoindolines / Isoindolones
Shihunidine	195809	Click to see CN1CCCC12C3=CC=CC=C3C(=O)N2	202.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Isoquinolines and derivatives / Isoquinolones and derivatives
5-Chloro-7-hydroxy-2-(2-hydroxyethyl)-7-methyl-3-(3-methylpent-1-enyl)isoquinoline-6,8-dione	78108622	Click to see CCC(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CN1CCO)(C)O)Cl	351.80	unknown	https://doi.org/10.1021/NP050447R
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
[(3R,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate	102014217	Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)OC(=O)C	304.34	unknown	via CMAUP database
[(3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-2,7-dioxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] acetate	76764466	Click to see CC1C2C(CC(=C3C(=O)C=C(C3(C2OC1=O)O)C)C)OC(=O)C	320.30	unknown	via CMAUP database
14-Deoxylactucin	156302	Click to see CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)C	260.28	unknown	via CMAUP database
Austricin	6713966	Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O	262.30	unknown	via CMAUP database
Dehydroleucodine	73440	Click to see CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C	244.28	unknown	via CMAUP database
Hydroxyachillin	10038339	Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O	262.30	unknown	via CMAUP database
Matricarin	3083923	Click to see CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)OC(=O)C	304.34	unknown	via CMAUP database
Matricin	92265	Click to see CC1C2C(CC(=C3C=CC(C3C2OC1=O)(C)O)C)OC(=O)C	306.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Tetrahydropyridines
Gardenamide	10775442	Click to see COC(=O)C1=CNC(=O)C2C1CC=C2CO	223.22	unknown	https://doi.org/10.1248/CPB.46.1295
methyl (4aS,7aS)-2-(2-hydroxyethyl)-7-(hydroxymethyl)-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate	10825707	Click to see COC(=O)C1=CN(C(=O)C2C1CC=C2CO)CCO	267.28	unknown	https://doi.org/10.1248/CPB.48.746
methyl 2-(2-hydroxyethyl)-7-(hydroxymethyl)-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate	85280930	Click to see COC(=O)C1=CN(C(=O)C2C1CC=C2CO)CCO	267.28	unknown	https://doi.org/10.1248/CPB.48.746
Methyl 7-(hydroxymethyl)-1-oxo-2,4a,5,7a-tetrahydrocyclopenta[c]pyridine-4-carboxylate	85264176	Click to see COC(=O)C1=CNC(=O)C2C1CC=C2CO	223.22	unknown	https://doi.org/10.1248/CPB.46.1295
> Organoheterocyclic compounds / Quinolines and derivatives
2-Methoxy-4-[2-(4-methoxyquinolin-2-yl)ethyl]phenol	163192729	Click to see COC1=CC(=NC2=CC=CC=C21)CCC3=CC(=C(C=C3)O)OC	309.40	unknown	https://doi.org/10.1021/NP050447R
> Organosulfur compounds / Organic disulfides / Dialkyldisulfides
Methyl propyl disulfide	16592	Click to see CCCSSC	122.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(1S)-1alpha-[6-O-(3,5-Dimethoxy-4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyloxy]-6alpha-hydroxy-7-methylene-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4-carboxylic acid	71694459	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(CC(C4=C)O)C(=CO3)C(=O)O)O)O)O	580.50	unknown	https://doi.org/10.1002/HLCA.200890068
[(2R,3R,4S,5R,6R)-6-[(5,5-dimethyl-6-methylidene-3-oxocyclohexen-1-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	162967773	Click to see CC1(CC(=O)C=C(C1=C)COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)C	534.60	unknown	https://doi.org/10.1021/NP800002Z
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]methoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	102596098	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)(C)C	536.60	unknown	https://doi.org/10.1021/NP800002Z
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(6S)-6-(hydroxymethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl]methoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	163190562	Click to see CC1(CC(=O)C=C(C1CO)COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)C	552.60	unknown	https://doi.org/10.1002/HLCA.200900291
[(2R,3S,4S,5R,6R)-6-[(5,5-dimethyl-6-methylidene-3-oxocyclohexen-1-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	102596099	Click to see CC1(CC(=O)C=C(C1=C)COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)C	534.60	unknown	https://doi.org/10.1021/NP800002Z
[3,4,5-Trihydroxy-6-[(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)methoxy]oxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	163046816	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)(C)C	536.60	unknown	https://doi.org/10.1021/NP800002Z
[3,4,5-Trihydroxy-6-[[6-(hydroxymethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl]methoxy]oxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	78089357	Click to see CC1(CC(=O)C=C(C1CO)COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)C	552.60	unknown	https://doi.org/10.1002/HLCA.200900291
[6-[(5,5-Dimethyl-6-methylidene-3-oxocyclohexen-1-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	162967772	Click to see CC1(CC(=O)C=C(C1=C)COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)C	534.60	unknown	https://doi.org/10.1021/NP800002Z
6-hydroxy-7-methylidene-1-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	78151420	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(CC(C4=C)O)C(=CO3)C(=O)O)O)O)O	580.50	unknown	https://doi.org/10.1002/HLCA.200890068
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1021/NP050447R
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives
Scoparone	8417	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)OC	206.19	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
Isoimperatorin	68081	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	270.28	unknown	via CMAUP database
Pentosalen	10212	Click to see CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	270.28	unknown	via CMAUP database
> 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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
(2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-[4,8'-bichroman]-3,3'-diyl bis(3,4,5-trihydroxybenzoate)	12795892	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
(2R,2'R)-2alpha-(3,4,5-Trihydroxyphenyl)-2'alpha-(3,4-dihydroxyphenyl)-3alpha-(galloyloxy)-4beta,8'-bichroman-3'beta,5,5',7,7'-pentol	13831071	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O	746.60	unknown	via CMAUP database
Epicatechin 3-O-gallate(4b->8)epigallocatechin-3-O-gallate	11622083	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)OC(=O)C8=CC(=C(C(=C8)O)O)O	898.70	unknown	via CMAUP database
Epicatechin-(4beta->8)-epigallocatechin 3'-gallate	11513300	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)OC(=O)C7=CC(=C(C(=C7)O)O)O	746.60	unknown	via CMAUP database
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	via CMAUP database
Prodelphinidin B3	13831068	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)O)C6=CC(=C(C(=C6)O)O)O)O	610.50	unknown	via CMAUP database
> 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
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	via CMAUP database
Cianidanol	9064	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
Epicatechin	72276	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
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Catechin gallates
(-)-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	via CMAUP database
(+)-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	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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
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	via CMAUP database
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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
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
Quercetin-7-olate	46906036	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-])O)O	301.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Quercetagetin-6,7-3',4'-tetramethyl Ether	5316832	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)OC	374.30	unknown	via CMAUP database
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/10.1021/NP050447R
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	10418008	Click to see CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)COC(=O)C=CC5=CC=C(C=C5)O)OC(=O)C=CC6=CC=C(C=C6)O	824.70	unknown	via CMAUP database
3'',4''-Di-O-acetyl-2'',6''-di-O-p-coumaroylastragalin	10328097	Click to see CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C=CC2=CC=C(C=C2)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)COC(=O)C=CC6=CC=C(C=C6)O	824.70	unknown	via CMAUP database
Kaempferol-3-O-(2',6'-di-O-trans-p-coumaroyl)-beta-D-glucopyranoside	10439991	Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC(=O)C=CC6=CC=C(C=C6)O)O)O)O	740.70	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
Isoschaftoside	3084995	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(C(O5)CO)O)O)O)O)O)O)O	564.50	unknown	via CMAUP database
Schaftoside	442658	Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O	564.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one	53399169	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O	610.50	unknown	via CMAUP database
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	via CMAUP database
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	via CMAUP database
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/10.1021/NP050447R
Kaempferol-3-O-rutinoside	5318767	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	594.50	unknown	via CMAUP database
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/10.1248/CPB.34.1419
Rutin hydrate	45479757	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.O	628.50	unknown	via CMAUP database
Rutin trihydrate	16218542	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.O.O.O	664.60	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
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	via CMAUP database
Apigetrin	5280704	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	via CMAUP database
Isorhoifolin	9851181	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O	578.50	unknown	via CMAUP database
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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
Diosmetin	5281612	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	300.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
Centaureidin	5315773	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O	360.30	unknown	via CMAUP database
Pectolinarigenin	5320438	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O	314.29	unknown	via CMAUP database
Santin	5281695	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC	344.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
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-3,6,7,4'-tetramethoxyflavone	5318355	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC	358.30	unknown	via CMAUP database
Artemetin	5320351	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC	388.40	unknown	via CMAUP database
Corymbosin	10970376	Click to see COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O	358.30	unknown	via CMAUP database
Eupatorin	97214	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O	344.30	unknown	via CMAUP database
Umuhengerin	73648	Click to see COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O	388.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
5,7-Dihydroxy-8,3',4'-trimethoxyflavone	5316844	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC	344.30	unknown	via CMAUP database
Gardenin A	261859	Click to see COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O	418.40	unknown	via CMAUP database
Wogonin	5281703	Click to see COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O	284.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
Genistein(1-)	25201420	Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)[O-])O)O	269.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
genistein 7-O-glucoside	44257273	Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O	432.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Rotenoids / Rotenones
5'beta-Rotenone	5102	Click to see CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC	394.40	unknown	https://doi.org/10.1248/CPB.55.1643
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
1-Epi-castalagin	12302512	Click to see C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O	934.60	unknown	via CMAUP database
4-O-beta-D-(6'-sinapoyl)glucopyranoside	11577408	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)C(=O)O)OC)O)O)O	536.50	unknown	https://doi.org/10.1021/NP050447R
CID 12302513	12302513	Click to see C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O	934.60	unknown	via CMAUP database

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Gardenia jasminoides

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