Language	Common/alternative name
English	red sage
Czech	Šalvěj červenokořenná
German	rotwurzel-salbei
Finnish	kiinansalvia
Japanese	丹参
Korean	단삼
lzh	丹參
Macedonian	Даншен
Dutch	rode salie
Dutch	chinese salie
Thai	ตังเซียม
Thai	ตานเซิน
Vietnamese	Đan sâm
Chinese	血参根
Chinese	紫丹參
Chinese	阴行草
Chinese	野苏子根
Chinese	郁蝉草
Chinese	逐乌
Chinese	赤丹参
Chinese	白花丹参
Chinese	丹参
Chinese	紫丹参
Chinese	红根
Chinese	奔马草
Chinese	木羊乳
Chinese	赤参
Chinese	紫参
Chinese	血参
Chinese	长叶丹参
Chinese	丹參
Chinese	大红袍
Chinese	五风花
Chinese	壬参
Chinese	夏丹参
Chinese	大叶活血丹
Chinese	山参
Chinese	活血根
Chinese	烧酒壶根
Chinese	红丹参
Chinese	红根红参
Chinese	红根赤参

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Name	Authority	First published in
Salvia miltiorrhiza var. charbonnelii	(Levl.) C.Y.Wu	Fl. Reipubl. Popularis Sin. 66: 148 (1977)
Salvia miltiorrhiza var. miltiorrhiza

Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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

Requires Light or Surface Sowing: These seeds need light to germinate and should not be covered with soil or only very lightly. They are often very small and sown directly on the surface of the growing medium.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

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

Asia-tropical click to expand
- Indo-China
  - Vietnam

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000301608
UNII	714783Y9Z0
Tropicos	17606684
KEW	urn:lsid:ipni.org:names:456707-1
The Plant List	kew-183206
Open Tree Of Life	847543
NCBI Taxonomy	226208
IPNI	456707-1
iNaturalist	715830
GBIF	7308369
Freebase	/m/0fmfy6
EOL	2894193
USDA GRIN	402704
Wikipedia	Salvia_miltiorrhiza
CMAUP	NPO5743

Genomes (via NCBI) Top

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

Accession	Assembly
Accession	Name	Level	Submitter	Released	Coverage	Size
GCF_028751815.1	IMPLAD_Smil_shh	Chromosome	Chinese Academy of Medical Sciences & Peking Union Medical College	2023-02-24	669.0x	506.37 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

Natural-derived acetophenones: chemistry and pharmacological activities

Ahmadpourmir H, Attar H, Asili J, Soheili V, Taghizadeh SF, Shakeri A

Nat Prod Bioprospect

10-May-2024

PMCID:	PMC11087454
doi:	10.1007/s13659-024-00447-x
PMID:	38727781

Exploring the efficacy and molecular mechanism of Danhong injection comprehensively in the treatment of idiopathic pulmonary fibrosis by combining meta-analysis, network pharmacology, and molecular docking methods

Wu X, Li W, Luo Z, Chen Y

Medicine (Baltimore)

10-May-2024

PMCID:	PMC11081554
doi:	10.1097/MD.0000000000038133
PMID:	38728523

Current evidence of synaptic dysfunction after stroke: Cellular and molecular mechanisms

Li C, Jiang M, Fang Z, Chen Z, Li L, Liu Z, Wang J, Yin X, Wang J, Wu M

CNS Neurosci Ther

10-May-2024

PMCID:	PMC11084978
doi:	10.1111/cns.14744
PMID:	38727249

Genome-Wide Identification and Expression Profile Analysis of the Phenylalanine Ammonia-Lyase Gene Family in Hevea brasiliensis

Liu H, He Q, Hu Y, Lu R, Wu S, Feng C, Yuan K, Wang Z

Int J Mol Sci

06-May-2024

PMCID:	PMC11084274
doi:	10.3390/ijms25095052
PMID:	38732270

Efficacy and Safety of Kuoxin Formula in the Treatment of Dilated Cardiomyopathy-Related Heart Failure: Study Protocol of a Randomized, Double-Blind, Placebo-Controlled, Multi-Center Clinical Trial

Wu Q, An S, Lee R, Gao D, Zhou Y, Peng L, Hu C, Yao L, Zhou C, Zhou L, Gao J, Cao M, Mao M, Li G, Deng B, Xu Y, Wang Y

Int J Gen Med

06-May-2024

PMCID:	PMC11086434
doi:	10.2147/IJGM.S461765
PMID:	38736671

Molecular Mechanisms of CBL-CIPK Signaling Pathway in Plant Abiotic Stress Tolerance and Hormone Crosstalk

Kaya C, Uğurlar F, Adamakis ID

Int J Mol Sci

06-May-2024

PMCID:	PMC11084290
doi:	10.3390/ijms25095043
PMID:	38732261

De novo assembly of the complete mitochondrial genome of pepino (Solanum muricatum) using PacBio HiFi sequencing: insights into structure, phylogenetic implications, and RNA editing

Li Z, Liu J, Liang M, Guo Y, Chen X, Wu H, Jin S

BMC Plant Biol

04-May-2024

PMCID:	PMC11069145
doi:	10.1186/s12870-024-04978-w
PMID:	38702620

The emerging role of regulated cell death in ischemia and reperfusion-induced acute kidney injury: current evidence and future perspectives

Li C, Yu Y, Zhu S, Hu Y, Ling X, Xu L, Zhang H, Guo K

Cell Death Discov

04-May-2024

PMCID:	PMC11069531
doi:	10.1038/s41420-024-01979-4
PMID:	38704372

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

Han T, Miao G

Molecules

02-May-2024

PMCID:	PMC11085123
doi:	10.3390/molecules29092106
PMID:	38731602

Potential Effects of Traditional Chinese Medicine in Anti-Aging and Aging-Related Diseases: Current Evidence and Perspectives

Ding X, Ma X, Meng P, Yue J, Li L, Xu L

Clin Interv Aging

01-May-2024

PMCID:	PMC11070163
doi:	10.2147/CIA.S447514
PMID:	38706635

Exploring the evolution of CHS gene family in plants

Yang L, Zhang S, Chu D, Wang X

Front Genet

30-Apr-2024

PMCID:	PMC11091334
doi:	10.3389/fgene.2024.1368358
PMID:	38746055

Metabolomics analysis reveals the effects of Salvia Miltiorrhiza Bunge extract on ameliorating acute myocardial ischemia in rats induced by isoproterenol

Mu X, Yu H, Li H, Feng L, Ta N, Ling L, Bai L, A R, Borjigidai A, Pan Y, Fu M

Heliyon

30-Apr-2024

PMCID:	PMC11088323
doi:	10.1016/j.heliyon.2024.e30488
PMID:	38737264

Codonopsis radix: a review of resource utilisation, postharvest processing, quality assessment, and its polysaccharide composition

Liang W, Sun J, Bai G, Qiu D, Li Q, Dong P, Chen Y, Guo F

Front Pharmacol

30-Apr-2024

PMCID:	PMC11091420
doi:	10.3389/fphar.2024.1366556
PMID:	38746010

Network pharmacology and in vivo experiment-based strategy for investigating the mechanism of chronic prostatitis/chronic pelvic pain syndrome in QianLieJinDan tablets

Jia Z, Lv D, Chen T, Shi Z, Li X, Ma J, Gao Z, Zhong C

Heliyon

30-Apr-2024

PMCID:	PMC11078777
doi:	10.1016/j.heliyon.2024.e29975
PMID:	38726171

Network and Experimental Pharmacology on Mechanism of Yixintai Regulates the TMAO/PKC/NF-κB Signaling Pathway in Treating Heart Failure

Wang Z, Liu C, Wei J, Yuan H, Shi M, Zhang F, Zeng Q, Huang A, Du L, Li Y, Guo Z

Drug Des Devel Ther

30-Apr-2024

PMCID:	PMC11069381
doi:	10.2147/DDDT.S448140
PMID:	38707614

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 / Benzene and substituted derivatives / Benzenesulfonamides
Glimepiride	3476	Click to see CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	490.60	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1142/S0192415X08005795 https://doi.org/10.1039/B009760H https://doi.org/10.1007/BF02575290
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid	8468	Click to see COC1=C(C=CC(=C1)C(=O)O)O	168.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Cyclohexylphenols
2-(2-Formyl-1,3,3-trimethylcyclohexyl)-3,4-dihydroxy-5-propan-2-ylbenzaldehyde	163040942	Click to see CC(C)C1=C(C(=C(C(=C1)C=O)C2(CCCC(C2C=O)(C)C)C)O)O	332.40	unknown	https://doi.org/10.1246/BCSJ.64.3422
2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-3,4-dihydroxy-5-propan-2-ylbenzaldehyde	15102232	Click to see CC(C)C1=C(C(=C(C(=C1)C=O)C2(CCCC(C2C=O)(C)C)C)O)O	332.40	unknown	https://doi.org/10.1246/BCSJ.64.3422
> Benzenoids / Benzene and substituted derivatives / Phenylpyruvic acid derivatives
Isomelitric acid A	21582559	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O	538.50	unknown	via CMAUP database
Melitric acid A	10459878	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O)O	538.50	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Trifluoromethylbenzenes
Fluoxetine	3386	Click to see CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F	309.33	unknown	via CMAUP database
> Benzenoids / Naphthalenes / Naphthols and derivatives
[(2S)-4-(1-hydroxy-5-methylnaphthalen-2-yl)-2-methyl-4-oxobutyl] acetate	162866413	Click to see CC1=C2C=CC(=C(C2=CC=C1)O)C(=O)CC(C)COC(=O)C	300.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
[4-(1-Hydroxy-5-methylnaphthalen-2-yl)-2-methyl-4-oxobutyl] acetate	11558483	Click to see CC1=C2C=CC(=C(C2=CC=C1)O)C(=O)CC(C)COC(=O)C	300.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
> Benzenoids / Naphthalenes / Phenylnaphthalenes
Salvianolic Acid L	11765414	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O	718.60	unknown	via CMAUP database
> Benzenoids / Phenalenes / Phenalenones
Salvilenone	389885	Click to see CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C	292.40	unknown	https://doi.org/10.1016/S0031-9422(00)83136-2
> Benzenoids / Phenanthrenes and derivatives
(5S)-5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene	133613126	Click to see CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C	321.40	unknown	https://doi.org/10.1021/NP0500934
5,9,17,17-Tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene	11347813	Click to see CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C	321.40	unknown	https://doi.org/10.1021/NP0500934
9,9-dimethyl-3-propan-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),3,5,7,12-pentaene-2,11-dione	11323834	Click to see CC(C)C1=CC2=CC=C3C4=C(C(=O)CC3(C)C)NC(=C24)C1=O	293.40	unknown	https://doi.org/10.1021/NP0500934
CID 14139388	14139388	Click to see CC1=CC2=C(C=C1O)C34CCCC(C3CC2OC4)(C)C	272.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1246/BCSJ.64.3422
Dihydroisotanshine II	75024890	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C4=CC=CC(=C4C=C3)C	278.30	unknown	https://doi.org/10.1021/NP060482D
Dihydroisotanshinone Ii	44425164	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C4=CC=CC(=C4C=C3)C	278.30	unknown	https://doi.org/10.1021/NP060482D
Isotanshinone Ii	44425166	Click to see CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=CO4)C)C(=O)C3=O	276.30	unknown	https://doi.org/10.1021/NP060482D
Neosalvianen	11472648	Click to see CC1=COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)OC(=N3)C	319.40	unknown	https://doi.org/10.1021/NP0500934
Przewalskin	14139389	Click to see CC1=CC2=C(C=C1O)C34CCCC(C3CC2OC4)(C)C	272.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1246/BCSJ.64.3422
Salvianan	102004707	Click to see CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C	321.40	unknown	https://doi.org/10.1021/NP0500934
Salvianen	11186248	Click to see CC1=COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C	319.40	unknown	https://doi.org/10.1021/NP0500934
> Benzenoids / Phenanthrenes and derivatives / Hydrophenanthrenes
3,4-Phenanthrenedione	97313	Click to see C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)C=C3	208.21	unknown	via CMAUP database
> Benzenoids / Phenanthrenes and derivatives / Phenanthrols
1-hydroxy-2,8,8-trimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione	5320066	Click to see CC1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O	270.32	unknown	https://doi.org/10.1016/S0031-9422(99)00433-1
Danshenxinkun C	5320114	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C	252.26	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
(2S,8R)-2,10,11-trihydroxy-8-methoxy-2,6,7,8-tetrahydro-1H-4-benzazecine-3,5-dione	162991522	Click to see COC1CCC(=O)NC(=O)C(CC2=CC(=C(C=C12)O)O)O	295.29	unknown	https://doi.org/10.1016/S0367-326X(00)00248-3
2,10,11-Trihydroxy-8-methoxy-1,6,7,8-tetrahydro-2h-benzo[e]azecine-3,5-dione	9971720	Click to see COC1CCC(=O)NC(=O)C(CC2=CC(=C(C=C12)O)O)O	295.29	unknown	https://doi.org/10.1016/S0367-326X(00)00248-3
> Benzenoids / Phenols / Benzenediols / Catechols
(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide	130619547	Click to see C1=CC(=C(C=C1CC(C(=O)N)O)O)O	197.19	unknown	https://doi.org/10.1016/S0367-326X(00)00248-3
2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide	10035593	Click to see C1=CC(=C(C=C1CC(C(=O)N)O)O)O	197.19	unknown	https://doi.org/10.1016/S0367-326X(00)00248-3
Urushiol III	5281862	Click to see CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O	316.50	unknown	via CMAUP database
> Hydrocarbon derivatives / Tropones / Tropolones
(1R,9S,11R)-5-hydroxy-6,12,12-trimethyl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2,5,7-trien-4-one	162914533	Click to see CC1=C(C(=O)C=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O	300.40	unknown	https://doi.org/10.1246/BCSJ.64.3422
(4aS)-1,2,3,4,4abeta,5,6,11b-Octahydro-9-hydroxy-4,4,8-trimethyl-6alpha,11balpha-(epoxymethano)-10H-cyclohepta[a]naphthalen-10-one	14657482	Click to see CC1=C(C(=O)C=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O	300.40	unknown	https://doi.org/10.1246/CL.1990.1599 https://doi.org/10.1246/BCSJ.64.3422
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Tritriacontane	12411	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	464.90	unknown	via CMAUP database
> Lignans, neolignans and related compounds
(2R,3R)-2-[4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid	10482829	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(C(C3=CC(=C(C=C3)O)O)O)C(=O)O)O)O)O	556.50	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Aryltetralin lignans
(2R,3S,4R)-4-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-2,3-dimethyl-3,4-dihydronaphthalen-1-one	102180985	Click to see CC1C(C2=CC(=C(C=C2C(=O)C1(C)O)OC)OC)C3=CC(=C(C=C3)OC)OC	386.40	unknown	https://doi.org/10.1016/0031-9422(89)80294-8
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
(+)-Nortrachelogenin	479756	Click to see COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O	374.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
methyl 2-[(1R,4S,5S,6S,9S)-4-acetyl-5,9-dimethyl-5-tricyclo[7.2.1.01,6]dodec-10-enyl]acetate	16069530	Click to see CC(=O)C1CCC23CC(CCC2C1(C)CC(=O)OC)(C=C3)C	304.40	unknown	https://doi.org/10.1016/0031-9422(89)80294-8
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl oleate	5364509	Click to see CCCCCCCCC=CCCCCCCCC(=O)OC	296.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
2-Dodecyl-3-Methylbutanedioic Acid	99891	Click to see CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O	300.40	unknown	via CMAUP database
Arachidic Acid	10467	Click to see CCCCCCCCCCCCCCCCCCCC(=O)O	312.50	unknown	via CMAUP database
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Elaidolinolenic acid	5282822	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1021/NP980117P
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1021/NP980117P
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosyldiacylglycerols / Sulfoquinovosyldiacylglycerols
[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(2S)-3-octanoyloxy-2-propanoyloxypropoxy]oxan-2-yl]methanesulfonic acid	448048	Click to see CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CC	500.60	unknown	https://doi.org/10.1021/NP000345V
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(+)-5-Dehydrosugiol	14827280	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)C=C3C2(CCCC3(C)C)C)O	298.40	unknown	via CMAUP database
(3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone	11624647	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CC(CC3(C)C)OC(=O)C)C)O	358.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
(3S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diol	11392484	Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CC(CC3(C)C)O)C)O	302.50	unknown	via CMAUP database
(3S)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol	162988905	Click to see CC1=CCC2C(CCCC2(C1CCC(C)(C=C)O)C)(C)C	290.50	unknown	https://doi.org/10.1246/BCSJ.64.3422
(4-Hydroxy-8,8-dimethyl-5-oxo-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) hexadecanoate	11720792	Click to see CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2C=CC3=C(C2=C1O)C(=O)CCC3(C)C)C(C)C	536.80	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
(5beta)-13-Isopropylpodocarpa-8,11,13-triene	15558805	Click to see CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C	270.50	unknown	https://doi.org/10.1246/BCSJ.64.3422
(6-hydroxy-1,1,4a-trimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-3-yl) acetate	73033476	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CC(CC3(C)C)OC(=O)C)C)O	358.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
(9S,11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one	15478793	Click to see CC1CC2=C(C3=C(C(=C2O1)O)C4(CCCC(C4=CC3=O)(C)C)C)O	328.40	unknown	via CMAUP database
1,1,4abeta-Trimethyl-6-hydroxy-7-isopropyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9-one	5321549	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O	300.40	unknown	via CMAUP database
1,2-Dihydrotanshinquinone	105119	Click to see CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C	278.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1055/S-0030-1270933
1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-	10039317	Click to see CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2C=CCC3(C)C	280.40	unknown	https://doi.org/10.1021/NP060482D
1,6-dimethyl-10,11-dioxo-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde	101631078	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C=O	306.30	unknown	https://doi.org/10.1055/S-2006-961556
12-Deoxytanshinquinone B	15484930	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C=C(C3=O)C(C)C	264.30	unknown	https://doi.org/10.1021/NP060482D
5-(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol	15923775	Click to see CC1=CCC2C(CCCC2(C1CCC(C)(C=C)O)C)(C)C	290.50	unknown	https://doi.org/10.1246/BCSJ.64.3422
6-Hydroxy-1,1,4A-trimethyl-7-(propan-2-YL)-1,2,3,4,4A,9,10,10A-octahydrophenanthren-9-one	275529	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O	300.40	unknown	https://doi.org/10.1021/JO00298A029 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
6-Hydroxy-5,6-dehydrosugiol	3009284	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)C(=C3C2(CCCC3(C)C)C)O)O	314.40	unknown	https://doi.org/10.1016/S0031-9422(99)00433-1
6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one	78297419	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)C(=C3C2(CCCC3(C)C)C)O)O	314.40	unknown	https://doi.org/10.1016/S0031-9422(99)00433-1
7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene	86869	Click to see CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C	270.50	unknown	https://doi.org/10.1246/BCSJ.64.3422
Abieta-9(11),8(14),12-trien-12-ol	521330	Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O	286.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1016/S0031-9422(00)86969-1 https://doi.org/10.1016/0031-9422(86)88014-1
Abietatriene	6432211	Click to see CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C	270.50	unknown	via CMAUP database
Arucadiol	11011966	Click to see CC(C)C1=C(C(=C2C(=C1)C=CC3=C2C(=O)CCC3(C)C)O)O	298.40	unknown	https://doi.org/10.1021/JO00298A029 https://doi.org/10.1016/J.BMC.2011.06.067
cis-Ferruginol	91747538	Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O	286.50	unknown	https://doi.org/10.1016/S0031-9422(00)86969-1 https://doi.org/10.1016/0031-9422(86)88014-1
Danshenxinkun D	127172	Click to see CC1COC2=C(C1(C)CO)C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C	336.40	unknown	via CMAUP database
Dehydrotanshinone II A	128994	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C	292.30	unknown	via CMAUP database
Ferruginol	442027	Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O	286.50	unknown	https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1016/S0031-9422(00)81826-9 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1016/S0031-9422(00)81221-2 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1016/0031-9422(86)88014-1 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1016/S0031-9422(00)86969-1
Mandarone A	182295	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCC(=O)C3(C)C)C)O	314.40	unknown	via CMAUP database
Mandarone C	15478794	Click to see CC1=CC2=C(C3=C(C(=C2O1)O)C4(CC=CC(C4=CC3=O)(C)C)C)O	324.40	unknown	via CMAUP database
Salvinone	130233	Click to see CC(=O)C1=C(C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O	268.30	unknown	https://doi.org/10.1055/S-2006-962037
Salviol	13966146	Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CC(CC3(C)C)O)C)O	302.50	unknown	via CMAUP database
Sibiriquinone B	9971020	Click to see CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2CCCC3(C)C	282.40	unknown	https://doi.org/10.1021/NP060482D
Sugiol	94162	Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O	300.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tanshinones, isotanshinones, and derivatives
(1R)-1-Methyl-6-methylidene-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione	102004770	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C	280.30	unknown	via CMAUP database
(1R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11(3aH,11aH)-dione	25181389	Click to see CC1COC2C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C	298.40	unknown	via CMAUP database
(1R)-5-hydroxy-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione	5319836	Click to see CC1COC2=C1C(=O)C(=O)C3=C4CCCC(C4=C(C=C32)O)(C)C	312.40	unknown	https://doi.org/10.1016/0031-9422(89)80294-8
(4R)-4-hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-4H-phenanthrene-3,5-dione	162875967	Click to see CC(C)C1=CC2=C(C(C1=O)O)C3=C(C=C2)C(CCC3=O)(C)C	298.40	unknown	https://doi.org/10.1055/S-0030-1270933
(6R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione	5321621	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O	312.30	unknown	https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1016/S0021-9673(01)88770-7
(6S)-6-hydroxy-1,6-dimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione	101493016	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O	298.30	unknown	via CMAUP database
(6S)-6-hydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione	56967683	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O	296.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione	11056055	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O	312.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696
(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione	14414396	Click to see CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C	278.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
(8S)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione	11778300	Click to see CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C	278.30	unknown	https://doi.org/10.1248/BPB.28.1795
(S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione	9926694	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO	310.30	unknown	https://doi.org/10.1055/S-2006-957696
1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione	184103	Click to see CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O	314.40	unknown	https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1016/S0031-9422(00)95156-2
1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8-methylphenanthrene-3,4-dione	98054351	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO	296.30	unknown	https://doi.org/10.1055/S-2006-960094
1-hydroxy-2-[(2S)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione	44425165	Click to see CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O	314.40	unknown	https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1021/NP50050A004
1-Hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydrophenanthrene-3,4,5-trione	5319835	Click to see CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3=O)(C)C)C(=O)C1=O)O	312.40	unknown	https://doi.org/10.1016/0031-9422(89)80294-8
1-Ketoisocyptotanshinone	85086900	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(=O)CCC4(C)C	310.30	unknown	via CMAUP database
1-Methyl-10,11-dioxonaphtho[1,2-g][1]benzofuran-6-carbaldehyde	14609847	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C=O	290.30	unknown	https://doi.org/10.1021/JO00298A029
1-Oxomiltirone	9971798	Click to see CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3=O)(C)C)C(=O)C1=O	296.40	unknown	https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1055/S-0030-1270933
1,2-Didehydrocryptotanshinone	102004793	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C	294.30	unknown	via CMAUP database
1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde	5321618	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O	308.30	unknown	via CMAUP database
1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione	496348	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C	296.40	unknown	https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1055/S-2006-961677 https://doi.org/10.1016/S0031-9422(00)81221-2 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1007/BF02976599 https://doi.org/10.1021/JF00095A007 https://doi.org/10.1021/NP900792P https://doi.org/10.1016/S0021-9673(00)00916-X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3032031/ https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1016/J.EJPHAR.2006.07.038 https://doi.org/10.1016/S0031-9422(00)86969-1 https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1021/NP800119K https://doi.org/10.1055/S-2006-961824 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3032829/ https://doi.org/10.1055/S-2004-832615 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/J.FCT.2007.08.013 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1248/CPB.45.1306 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2917475/ https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1016/S0031-9422(00)81826-9 https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1021/JM040112R https://doi.org/10.1016/0031-9422(86)88014-1 https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1016/S0031-9422(99)00433-1 https://doi.org/10.1039/C39870001311 https://doi.org/10.1021/NP0500934 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0021-9673(01)00949-9 https://doi.org/10.1248/BPB.26.845 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1021/JF00020A007
15,16-Dihydrotanshindiol B	102004773	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O	314.30	unknown	via CMAUP database
15,16-Dihydrotanshindiol C	102004772	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O	314.30	unknown	via CMAUP database
2-Isopropyl-8-methylphenanthrene-3,4-dione	135872	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3)C(C)C	264.30	unknown	https://doi.org/10.1248/CPB.31.1670
3-Hydroxycyptotanshinone	101493015	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O	312.40	unknown	via CMAUP database
3-Hydroxytanshinone	5318350	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O	310.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696
3-Hydroxytanshinone IIB	101493014	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)CO)O	326.30	unknown	via CMAUP database
3alpha-Hydroxymethylenetanshinquinone	92288941	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4=C)O	294.30	unknown	via CMAUP database
3alpha-Hydroxytanshinone IIA	14610644	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O	310.30	unknown	via CMAUP database
6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione	5321619	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O	312.30	unknown	https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/S0021-9673(01)88770-7
6,6-dihydroxy-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione	5320219	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(O)O	298.29	unknown	via CMAUP database
6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione	14376773	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O	312.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696
7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione	14610643	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O	310.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696
8-Methyl-2-propan-2-yl-5,6-dihydrophenanthrene-3,4-dione	14828180	Click to see CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C(=C3)C(C)C	266.30	unknown	via CMAUP database
8-Methyl-3,4-dioxo-2-propan-2-ylphenanthrene-1-carboxylic acid	101493017	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3C(=O)O)C(C)C	308.30	unknown	https://doi.org/10.1021/JF00020A007
8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione	14609851	Click to see CC(C)C1=CC2=C(C3=C(C=C2)C(=C)CCC3)C(=O)C1=O	266.30	unknown	https://doi.org/10.1021/JO00298A029
CID 101603194	101603194	Click to see CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C	296.40	unknown	https://doi.org/10.1248/BPB.28.1795
Cryptotanshinone	160254	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C	296.40	unknown	https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1055/S-2006-961677 https://doi.org/10.1016/S0031-9422(00)81221-2 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.2210/PDB5YLW/PDB https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1007/BF02976599 https://doi.org/10.1021/JF00095A007 https://doi.org/10.1021/NP900792P https://doi.org/10.1016/S0021-9673(00)00916-X https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1016/J.EJPHAR.2006.07.038 https://doi.org/10.1016/S0031-9422(00)86969-1 https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1055/S-2004-832615 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1016/S0031-9422(00)81826-9 https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1016/0031-9422(86)88014-1 https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1039/C39870001311 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1021/NP0500934 https://doi.org/10.1016/S0021-9673(01)00949-9 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1248/BPB.26.845 https://doi.org/10.1021/JF00020A007
Danshenol A	3083514	Click to see CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O	336.40	unknown	https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1248/CPB.45.1306
Danshenol B	3083515	Click to see CC1COC2=C1C(=O)C(C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O	354.40	unknown	https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1248/CPB.45.1306
Danshenol C	11688609	Click to see CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O	336.40	unknown	via CMAUP database
Danshenxinkun A	149138	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO	296.30	unknown	https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1002/RCM.4195 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1021/NP50050A004 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1055/S-2006-960094
Danshenxinkun B	5320113	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)C	280.30	unknown	https://doi.org/10.1021/JF00095A007 https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.2210/PDB5YLW/PDB https://doi.org/10.1016/0031-9422(89)80294-8
Dehydromiltirone	3082765	Click to see CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O	280.40	unknown	https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/S0021-9673(01)88770-7
Deoxyneocryptotanshinone	15690458	Click to see CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O	298.40	unknown	https://doi.org/10.1016/S0031-9422(99)00433-1
Dihydrotanshinone	5316743	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C	278.30	unknown	https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1016/J.FCT.2007.08.013 https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1055/S-2004-832615 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1021/NP060482D https://doi.org/10.1021/NP900792P
Dihydrotanshinone I	11425923	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C	278.30	unknown	https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1021/NP060482D https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1055/S-2004-832615 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1021/NP900792P https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1021/JF00095A007 https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1248/CPB.45.1306
Hydroxymethylenetanshiquinone	5318290	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4=C)O	294.30	unknown	https://doi.org/10.1055/S-2006-957696
Hydroxytanshinone	5318349	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(CCC4(C)C)O	310.30	unknown	via CMAUP database
Isocryptotanshinone	626608	Click to see CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C	296.40	unknown	https://doi.org/10.1248/BPB.28.1795
Isotanshinone I	623940	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C	276.30	unknown	via CMAUP database
Isotanshinone IIA	626354	Click to see CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C	294.30	unknown	https://doi.org/10.1248/BPB.28.1795 https://doi.org/10.1021/NP060482D
Isotanshinone IIB	184102	Click to see CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)CO	310.30	unknown	via CMAUP database
Methuyl tanshinonate	624381	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC	338.40	unknown	https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1021/NP060482D
methyl (6R)-1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate	14610612	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC	338.40	unknown	https://doi.org/10.1021/NP060482D
methyl (6S)-1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carboxylate	101493018	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC	340.40	unknown	via CMAUP database
Methyl tanshinonate	14610613	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC	338.40	unknown	https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1021/NP060482D https://doi.org/10.1055/S-0030-1270933
Methylenetanshinquinone	105118	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C	278.30	unknown	https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1021/JF00095A007 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1002/RCM.3023
Miltipolone	10086184	Click to see CC1=C(C(=O)C=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O	300.40	unknown	https://doi.org/10.1246/CL.1990.1599
Miltirone	160142	Click to see CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O	282.40	unknown	https://doi.org/10.1055/S-2006-962037 https://doi.org/10.1021/JF00020A007 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1158/1535-7163.MCT-07-0073 https://doi.org/10.1002/RCM.4195 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1016/J.BMC.2011.06.067
Monodydroxytanshinone I	101493019	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC(=C4C)O	292.30	unknown	via CMAUP database
Neocryptotanshinone	389888	Click to see CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O	314.40	unknown	via CMAUP database
Nortanshinone	10062187	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=O	280.27	unknown	https://doi.org/10.1016/S0031-9422(00)84900-6
Oleoyl danshenxinkun A	10415411	Click to see CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=CC=CC(=C3C=C2)C)C(=O)C1=O)O	560.80	unknown	https://doi.org/10.1016/0031-9422(89)80294-8
Oleoyl neocryptotanshinone	10483308	Click to see CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O	578.80	unknown	via CMAUP database
Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-1-methyl-6-methylene-	134165	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4=C)O	294.30	unknown	https://doi.org/10.1055/S-2006-957696
Phenanthro[3,2-b]furan-7,11-dione, 8,9-dihydro-4,8-dimethyl-	89406	Click to see CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C	278.30	unknown	https://doi.org/10.1248/BPB.28.1795 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
Przewaquinone A	619402	Click to see CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4CO)C	310.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1081/JLC-120020109 https://doi.org/10.1055/S-2006-957696
Przewaquinone B	622085	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4CO	292.30	unknown	via CMAUP database
Salviolone	10355691	Click to see CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O	268.30	unknown	https://doi.org/10.1246/CL.1989.1021 https://doi.org/10.1246/CL.1990.1599 https://doi.org/10.1246/BCSJ.64.3422
Sodium 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonate	23669322	Click to see CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(=O)(=O)[O-].[Na+]	396.40	unknown	via CMAUP database
Tanshinaldehyde	124268	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O	310.30	unknown	via CMAUP database
Tanshindiol A	16730071	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O	312.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1016/S0021-9673(01)88770-7
Tanshindiol B	5321620	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O	312.30	unknown	https://doi.org/10.1002/RCM.4195 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1016/S0021-9673(01)88770-7
Tanshindiol C	126072	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O	312.30	unknown	https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1016/S0021-9673(01)88770-7
Tanshinol A	5321622	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)CO	292.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696
Tanshinol B	126071	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O	296.30	unknown	https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447
Tanshinone I	114917	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C	276.30	unknown	https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1021/NP50078A014 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1055/S-2006-961677 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1007/BF02976599 https://doi.org/10.1021/NP900792P https://doi.org/10.1016/S0021-9673(00)00916-X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3032031/ https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1248/YAKUSHI1881.54.9_844 https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1007/978-3-030-24716-4_4 https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1055/S-2004-832615 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1016/J.FCT.2007.08.013 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1158/1535-7163.MCT-07-0073 https://doi.org/10.1055/S-2006-960839 https://doi.org/10.1248/BPB.31.501 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1021/JM040112R https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1016/S0031-9422(99)00433-1 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0021-9673(01)00949-9 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1002/RCM.4195
Tanshinone II-b	318797	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO	310.30	unknown	https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1002/RCM.4195 https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1002/PTR.2404 https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-960094 https://doi.org/10.1021/JF00095A007
Tanshinone IIA	164676	Click to see CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C	294.30	unknown	https://doi.org/10.1016/J.LFS.2008.07.011 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1016/S0031-9422(00)95156-2 https://doi.org/10.1055/S-2006-961677 https://doi.org/10.1016/J.BCP.2003.12.031 https://doi.org/10.1248/CPB.45.564 https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4003002/ https://doi.org/10.2210/PDB5YLW/PDB https://doi.org/10.1055/S-2006-957601 https://doi.org/10.1055/S-2006-957696 https://doi.org/10.1007/BF02976599 https://doi.org/10.1002/PMIC.200900178 https://doi.org/10.1021/JF00095A007 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2290784/ https://doi.org/10.1021/NP900792P https://doi.org/10.1016/S0021-9673(00)00916-X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3032031/ https://doi.org/10.1248/CPB.36.408 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.BMC.2011.06.067 https://doi.org/10.3109/13880209.2015.1005753 https://doi.org/10.1016/0165-1218(83)90182-9 https://doi.org/10.1002/RCM.2447 https://doi.org/10.1248/YAKUSHI1881.54.9_844 https://doi.org/10.1016/0027-5107(92)90043-2 https://doi.org/10.1007/978-3-030-24716-4_4 https://doi.org/10.1021/NP800119K https://doi.org/10.1055/S-2006-961824 https://doi.org/10.1055/S-2004-832615 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1016/0031-9422(91)85147-R https://doi.org/10.1016/J.FCT.2007.08.013 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1248/CPB.45.1306 https://doi.org/10.1158/1535-7163.MCT-07-0073 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2917475/ https://doi.org/10.1055/S-2006-960839 https://doi.org/10.3892/IJMM_00000291 https://doi.org/10.1002/PTR.2542 https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1248/CPB.31.1670 https://doi.org/10.1021/JM040112R https://doi.org/10.1055/S-2004-815535 https://doi.org/10.1016/S0021-9673(97)01087-X https://doi.org/10.1016/S0021-9673(01)88770-7 https://doi.org/10.1078/094471103322004776 https://doi.org/10.1021/NP0500934 https://doi.org/10.1016/S0021-9673(01)00949-9 https://doi.org/10.1055/S-0030-1270933 https://doi.org/10.1016/S0031-9422(00)84900-6 https://doi.org/10.1002/RCM.4195 https://doi.org/10.1016/0165-6147(83)90367-X https://doi.org/10.1021/JF00020A007
Trijuganone B	124416	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C	280.30	unknown	via CMAUP database
Trijuganone C	164381	Click to see CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC	340.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Taxanes and derivatives
[(1S,2S,5S,8R,9R,10R)-2,9-diacetyloxy-1,5-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-10-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate	10097180	Click to see CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)OC(=O)C)O)C)OC(=O)C)OC(=O)C	492.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
[(1S,7S)-6-acetyloxy-4-(3-methylbutanoyloxymethyl)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 4-methylpentanoate	5316745	Click to see CC(C)CCC(=O)OC1C2C(CC(C23CO3)OC(=O)C)C(=CO1)COC(=O)CC(C)C	438.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
Alpha-Tocopherol	14985	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	via CMAUP database
DL-alpha-Tocopherol	2116	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(4aS,5R)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one	10353347	Click to see CC1CCCC2=CC(=O)C(=C(C)C)CC12C	218.33	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
Dehydrosoyasaponin I	656760	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O	941.10	unknown	via CMAUP database
Mimengoside B	54586748	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)CO)CCC7(C6C(C=C8C7(CCC9(C8CC(CC9)(C)C)CO)C)OC)C)C)C)O)CO)O)O)O	1105.30	unknown	via CMAUP database
Soyasaponin I	122097	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O	943.10	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
[15-(Acetyloxymethyl)-8-ethylidene-7-hydroxy-4,11-dimethyl-9,16-dioxo-3,10,17-trioxatetracyclo[12.3.0.02,4.07,11]heptadec-14-en-13-yl] 2-methylprop-2-enoate	163027043	Click to see CC=C1C(=O)OC2(C1(CCC3(C(O3)C4C(=C(C(=O)O4)COC(=O)C)C(C2)OC(=O)C(=C)C)C)O)C	490.50	unknown	https://doi.org/10.1021/NP000345V
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
(1R,8S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one	6324890	Click to see CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O	330.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Quassinoids
9-Hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.01,5.04,8.011,15]heptadeca-13,15-diene-6,12,17-trione	4482273	Click to see CC1=CC(=O)C2(C1=CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C	330.30	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones
[(1R,3aR,5R,5aR,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate	16745519	Click to see CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C	306.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
(3aR,4S,6E,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one	10333019	Click to see CC1=CCCC(=CC2C(C(C1)O)C(=C)C(=O)O2)CO	264.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
Cryptoxanthin	5281235	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C	552.90	unknown	via CMAUP database
Lutein 5,6-epoxide	5281244	Click to see CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O	584.90	unknown	via CMAUP database
> 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
(1R,2S,4S,5'R,6R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol	54740428	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1	416.60	unknown	via CMAUP database
(1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-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	45483617	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
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol	102484853	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1C)C)C	442.70	unknown	https://doi.org/10.1002/HLCA.201000154
(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol	102484852	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C)C	442.70	unknown	https://doi.org/10.1002/HLCA.201000154
(3S,4R,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol	21119301	Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C	458.70	unknown	via CMAUP database
2,3-Dihydroxyolean-12-en-28-oic acid	3694932	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C	472.70	unknown	https://doi.org/10.1002/HLCA.201000154
3-Epioleanolic acid	11869658	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C	456.70	unknown	via CMAUP database
3-Hydroxyolean-12-en-28-oic acid	619166	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C	456.70	unknown	https://doi.org/10.1002/HLCA.201000154
4-(Hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol	14167252	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C)C	442.70	unknown	https://doi.org/10.1002/HLCA.201000154
Beta-Amyrin	73145	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C	426.70	unknown	via CMAUP database
beta-Ursolic acid	220774	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	456.70	unknown	https://doi.org/10.1002/HLCA.201000154
Betulinic Acid	64971	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O	456.70	unknown	via CMAUP database
Colosolic acid	15917996	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O	472.70	unknown	https://doi.org/10.1002/HLCA.201000154
Corosolic acid	6918774	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O	472.70	unknown	https://doi.org/10.1002/HLCA.201000154
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
Lupeol	259846	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C	426.70	unknown	via CMAUP database
Maslinic Acid	73659	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C	472.70	unknown	https://doi.org/10.1002/HLCA.201000154
Neotigogenin	12304433	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1	416.60	unknown	via CMAUP database
Oleanolic Acid	10494	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C	456.70	unknown	https://doi.org/10.1002/HLCA.201000154
Sophoradiol	9846221	Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C)O)C)C	442.70	unknown	via CMAUP database
Ursolic Acid	64945	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	456.70	unknown	https://doi.org/10.1002/HLCA.201000154
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cucurbitacins
(3R,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2S)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione	10649544	Click to see CC1(C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)C=CC(C)(C)O)O)O)C)C)C)O)C	516.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	101690746	Click to see CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	442.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Oxasteroids and derivatives / Tanshinlactones and derivatives
Neo-tanshinlactone	10264769	Click to see CC1=C2C=CC3=C(C2=CC=C1)OC(=O)C4=C3OC=C4C	264.27	unknown	https://doi.org/10.1021/JM040112R
Tanshinlactone	5321617	Click to see CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC4=C3OC=C4C	264.27	unknown	https://doi.org/10.1248/CPB.34.3166
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Oxosteroids / 11-oxosteroids
(6S)-6-hydroxy-1-(hydroxymethyl)-6-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione	101493020	Click to see CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OCC4CO)O	314.30	unknown	via CMAUP database
17-Hydroxycryptotanshinone	23252570	Click to see CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OCC4CO)C	312.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
(2S,8S,9R,10R,13R,14S,16R,17R)-17-acetyl-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione	44139738	Click to see CC(=O)C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O	564.70	unknown	https://doi.org/10.1016/0031-9422(89)80294-8
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins / Cucurbitacin glycosides
[22-(2-Hydroxypropan-2-yl)-1,5,10,10-tetramethyl-11-(3,4,5-trihydroxyoxan-2-yl)oxy-21,25-dioxaheptacyclo[20.2.1.02,19.05,19.06,16.09,14.014,16]pentacosan-3-yl] acetate	85360387	Click to see CC(=O)OC1CC2(C3CCC4C(C(CCC45C3(C5)CCC26C1C7(CCC(O7)(OC6)C(C)(C)O)C)OC8C(C(C(CO8)O)O)O)(C)C)C	662.80	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol	6432744	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
(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
(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	636741	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	122544	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(89)80294-8
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86821	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
22-Dehydroclerosterol	15608667	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)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
Clerosterol	5283638	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C	412.70	unknown	via CMAUP database
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	via CMAUP database
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(89)80294-8
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters
3-[2-Oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanamide	495284	Click to see C1C(OC(=O)C(N1)CCC(=O)N)C(C(C(CO)O)O)O	292.29	unknown	https://doi.org/10.1055/S-2006-961622 https://doi.org/10.1016/S0031-9422(00)95156-2
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
Ac-Nle-Asp(1)-His-Phe-Arg-Trp-Lys(1)-NH2	10534061	Click to see CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C	1024.20	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Butanedioate;hydron	21952380	Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-]	118.09	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives
(1R,2R,3S,4R)-6-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-3-(3,4-dihydroxyphenyl)cyclohex-5-ene-1,2,4-tricarboxylic acid	10531154	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(C(C(C2C(=O)O)C(=O)O)C3=CC(=C(C=C3)O)O)C(=O)O)O)O	572.50	unknown	via CMAUP database
> Organic acids and derivatives / Peptidomimetics / Depsipeptides
methyl (2S)-1-[(2S,3S)-2-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(5S)-5-methoxydec-9-ynoyl]-methylamino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]oxy-3-methylpentanoyl]pyrrolidine-2-carboxylate	162918929	Click to see CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)OC(C(C)CC)C(=O)N1CCCC1C(=O)OC)N(C)C(=O)CCCC(CCCC#C)OC	862.10	unknown	https://doi.org/10.1021/NP000345V
> Organic acids and derivatives / Peptidomimetics / Depsipeptides / Cyclic depsipeptides
CB-182348	139587374	Click to see CCC(C)CCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN(C3=O)C)C)CC(=O)O)CCCCN)CC(=O)O)CC(=O)N)CCC(=O)O)C(C)CC)C	1612.70	unknown	https://doi.org/10.1021/NP000345V
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
Chlorogenic Acid	1794427	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	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
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / C-glycosyl compounds
Ethyl beta-D-fructofuranoside	11769694	Click to see CCOC1(C(C(C(O1)CO)O)O)CO	208.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(2S,3R,4S,5S,6R)-2-Ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol	9815668	Click to see CCOC1C(C(C(C(O1)CO)O)O)O	208.21	unknown	via CMAUP database
Sucrose	5988	Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
Salviaflaside	6438919	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O)O	522.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
beta-D-glucose	64689	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	via CMAUP database
Grape sugar	79025	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-(Methoxymethyl)-1h-pyrrole-2-carbaldehyde	86063753	Click to see COCC1=CC=C(N1)C=O	139.15	unknown	https://doi.org/10.1021/NP0500934
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
Protocatechualdehyde	8768	Click to see C1=CC(=C(C=C1C=O)O)O	138.12	unknown	https://doi.org/10.1007/BF02575290 https://doi.org/10.1021/JF980088O https://doi.org/10.1142/S0192415X08005795 https://doi.org/10.1248/CPB.53.508 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1039/B009760H
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Daphneolone	5316300	Click to see C1=CC=C(C=C1)CCC(CC(=O)C2=CC=C(C=C2)O)O	270.32	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ketene acetals
(1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate	53338995	Click to see C(=C(N)[O-])C=C(N)[O-]	114.10	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzodioxanes / Phenylbenzodioxanes / Phenylbenzo-1,4-dioxanes
(2R,3R)-6-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid	24177556	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC3=C(C=C2)OC(C(O3)C(=O)O)C4=CC(=C(C=C4)O)O)O)O	538.50	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans
Dehydrotremetone	324281	Click to see CC(=C)C1=CC2=C(O1)C=CC(=C2)C(=O)C	200.23	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzoxepines
6,13-Dimethyl-15,18-dioxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),2,4,6,8,12(16)-hexaene-11,17-dione	162935089	Click to see CC1COC2=C1C(=O)C3=C(C4=CC=CC(=C4C=C3)C)OC2=O	294.30	unknown	https://doi.org/10.1002/JCCS.199600029
> Organoheterocyclic compounds / Benzoxepines / Dibenzoxepines
(12R)-4,5,17-trihydroxy-11-oxo-2-oxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,9,14(18),15-heptaene-12-carboxylic acid	154497410	Click to see C1C(C(=O)C2=CC3=C(C(=C(C=C3)O)O)OC4=C(C=CC1=C24)O)C(=O)O	340.30	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
isosalvianolic acid C	44566967	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=CC4=CC(=C(C=C4OC3=C(C=C2)O)O)O)O)O	492.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
(E)-4-[5-(Hydroxymethyl)-2-furanyl]-3-butene-2-one	24861973	Click to see CC(=O)C=CC1=CC=C(O1)CO	166.17	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
4-[5-(Hydroxymethyl)furan-2-yl]but-3-en-2-one	66936256	Click to see CC(=O)C=CC1=CC=C(O1)CO	166.17	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
> Organoheterocyclic compounds / Imidazopyridines / Imidazopyridinones
3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one	11804937	Click to see CC1=CN=C2N1CCCC2=O	150.18	unknown	https://doi.org/10.1021/NP000345V
> Organoheterocyclic compounds / Imidolactams
Oxazol-4-amine	21655019	Click to see C1=C(N=CO1)N	84.08	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives
4,5,17-Trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-3,5,14-triene	5319776	Click to see COC1CC=C2CCN3C2(C1)C4C=C(C(=CC4CCC3)OC)OC	331.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol	45358120	Click to see CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC	624.80	unknown	via CMAUP database
> Organoheterocyclic compounds / Lactones / Delta valerolactones
delta-Valerolactone	10953	Click to see C1CCOC(=O)C1	100.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Naphthofurans
(3R,4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one	13965477	Click to see CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1	268.31	unknown	https://doi.org/10.1246/CL.1990.1885
(3R,4'R)-4',6,6-Trimethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one	131675977	Click to see CC1CC2(C3=C(C4=C(C=C3)C(CCC4)(C)C)C(=O)O2)OC1	286.40	unknown	https://doi.org/10.1246/CL.1990.1885
(3S,4'S)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one	13965479	Click to see CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1	268.31	unknown	https://doi.org/10.1016/0031-9422(88)80638-1
4',6-Dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one	5316298	Click to see CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1	268.31	unknown	https://doi.org/10.1246/CL.1990.1885 https://doi.org/10.1016/0031-9422(89)80294-8 https://doi.org/10.1016/0031-9422(88)80638-1
Cryptoacetalide	46896125	Click to see CC1CC2(C3=C(C4=C(C=C3)C(CCC4)(C)C)C(=O)O2)OC1	286.40	unknown	https://doi.org/10.1246/CL.1990.1885 https://doi.org/10.1246/BCSJ.64.3422
Danshinspiroketallactone	56956598	Click to see CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1	268.31	unknown	https://doi.org/10.1246/CL.1990.1885
Epi-Cryptoacetalide	14705488	Click to see CC1CC2(C3=C(C4=C(C=C3)C(CCC4)(C)C)C(=O)O2)OC1	286.40	unknown	https://doi.org/10.1246/CL.1990.1885 https://doi.org/10.1246/BCSJ.64.3422
Epidanshenspiroketallactone	102004791	Click to see CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1	268.31	unknown	https://doi.org/10.1246/CL.1990.1885 https://doi.org/10.1016/0031-9422(88)80638-1
Neoprzewaquinone A	56932940	Click to see CC1=CCCC2=C(C=CC3=C2C(=O)C(=O)C4=C3OC=C4C)C(=C)CCCC5=C1C=CC6=C5C(=O)C(=O)C7=C6OC=C7C	556.60	unknown	via CMAUP database
> Organoheterocyclic compounds / Naphthopyrans / Naphthopyranones
(13R)-6,13-dimethyl-15,18-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-11,16-dione	162991142	Click to see CC1COC(=O)C2=C1C(=O)C3=C(O2)C4=CC=CC(=C4C=C3)C	294.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
Salviamone	11687935	Click to see CC1COC(=O)C2=C1C(=O)C3=C(O2)C4=CC=CC(=C4C=C3)C	294.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.005
> Organoheterocyclic compounds / Pteridines and derivatives
6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione	6325373	Click to see C1=C(N=C2C(=N1)NC(=O)NC2=O)CO	194.15	unknown	via CMAUP database
> Organoheterocyclic compounds / Quinolidines
CID 25084349	25084349	Click to see CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)O)OC)C	391.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(+)-Lithospermic acid	4482010	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O	538.50	unknown	via CMAUP database
(2R)-2-({(2E)-3-[(2R,3R)-3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid	6441188	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1159/000453151 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4899783/ https://doi.org/10.1142/S0192415X08005795 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2881190/ https://doi.org/10.1016/J.PHYMED.2006.11.002 https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1021/NP50055A023 https://doi.org/10.3109/13880209.2015.1008148 https://doi.org/10.1248/BPB.31.501 https://doi.org/10.1016/S0021-9673(01)01441-8 https://doi.org/10.1016/J.EJPHAR.2016.09.014 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2849633/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5009695/
(2R)-2-[(E)-3-[(3S)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	45358152	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	via CMAUP database
(2R)-2-[(E)-3-[3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	13991589	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	via CMAUP database
(2R)-2-[3-[(2R,3R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid	92132738	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	https://doi.org/10.1016/J.PHYMED.2006.11.002 https://doi.org/10.3109/13880209.2015.1008148 https://doi.org/10.1016/S0021-9673(01)01441-8 https://doi.org/10.1021/NP50055A023 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid	98789388	Click to see COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O)C4=CC(=C(C=C4)O)O	552.50	unknown	https://doi.org/10.1248/CPB.37.1287
(2S,3S)-4-[(E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid	95359683	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O	538.50	unknown	https://doi.org/10.1016/S0166-3542(02)00011-6 https://doi.org/10.1211/146080899128734893
(2S)-2-[(E)-3-[(3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	50914802	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	via CMAUP database
(2S)-2-[3-[(3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid	71433917	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	via CMAUP database
(R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid	11629084	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5057235/
2-((2S,3S)-4-((E)-3-((R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-enyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzo[b]furan-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid	6449855	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	via CMAUP database
2-(4-Hydroxy-3-Methoxyphenyl)-5-(3-Hydroxypropyl)-7-Methoxy-1-Benzofuran-3-Carbaldehyde	6709746	Click to see COC1=CC(=CC2=C1OC(=C2C=O)C3=CC(=C(C=C3)O)OC)CCCO	356.40	unknown	https://doi.org/10.1016/S0040-4039(00)78908-8
2-[[4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-hydroxymethoxy]-3-(3,4-dihydroxyphenyl)propanoic acid	56677421	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(C2C(OC3=CC(=CC(=C23)C=CC(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O	720.60	unknown	via CMAUP database
3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid	5319877	Click to see COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O)C4=CC(=C(C=C4)O)O	552.50	unknown	via CMAUP database
3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid	5321087	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O	492.40	unknown	https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1142/S0192415X08005795 https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1021/NP50055A023
3-(3,4-Dihydroxyphenyl)-2-[3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]propanoic acid	73817569	Click to see COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O)C4=CC(=C(C=C4)O)O	552.50	unknown	https://doi.org/10.1248/CPB.37.1287
CID 13991587	13991587	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	via CMAUP database
CID 5281302	5281302	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O	538.50	unknown	https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1016/S0166-3542(02)00011-6 https://doi.org/10.1142/S0192415X08005795 https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1002/RCM.3023
CID 6123454	6123454	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O	538.50	unknown	via CMAUP database
Dimethyl Lithospermate	70688393	Click to see COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)OC)O)C4=CC(=C(C=C4)O)O	566.50	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
Lithospermic acid	6441498	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O	538.50	unknown	via CMAUP database
magnesium;4-[(2R)-2-carboxy-2-[(E)-3-[(2S,3S)-3-[(1R)-1-carboxy-2-(3-hydroxy-4-oxidophenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxyethyl]-2-hydroxyphenolate	101822127	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)[O-])O)C(=O)O)O)[O-].[Mg+2]	740.90	unknown	via CMAUP database
methyl (2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate	163190756	Click to see COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)OC)O)C4=CC(=C(C=C4)O)O	566.50	unknown	https://doi.org/10.1248/CPB.37.1287
Methyl 2-(3,4-dihydroxyphenyl)-4-[3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate	73817570	Click to see COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)OC)O)C4=CC(=C(C=C4)O)O	566.50	unknown	https://doi.org/10.1248/CPB.37.1287
Salvianic acid B	119177	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	https://doi.org/10.1016/J.LFS.2004.02.034 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2881190/ https://doi.org/10.1007/S11655-016-2645-4 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2849633/
Salvianolic acid B	6451084	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O	718.60	unknown	https://doi.org/10.1211/146080899128734893 https://doi.org/10.1016/S0166-3542(02)00011-6 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1016/J.LFS.2004.02.034 https://doi.org/10.1055/S-2006-957596 https://doi.org/10.1021/JF980088O https://doi.org/10.1021/NP50108A020 https://doi.org/10.1016/0306-3623(94)90011-6 https://doi.org/10.1016/0306-3623(93)90176-X
salvianolic acid C	13991590	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O	492.40	unknown	https://doi.org/10.1021/NP50055A023
> Phenylpropanoids and polyketides / Anthracyclines
Nocardicyclin A	3075728	Click to see CC1C(C(CC(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C=CC(=C5C4=O)OC)O)(C)O)OC)(C)N(C)C)O	585.60	unknown	https://doi.org/10.1021/NP060482D https://doi.org/10.1016/J.JCHROMB.2006.08.002
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid esters
[(2R,3R,4S,5R,6R)-3-acetyloxy-5-hydroxy-2-[[(1R,2R,4R,5R,6S,10R)-2-(hydroxymethyl)-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate	162966308	Click to see CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C)OC(=O)C=CC6=CC=C(C=C6)OC)O	710.70	unknown	https://doi.org/10.1021/NP000345V
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	54691413	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)[O-]	193.18	unknown	via CMAUP database
(S)-rosmarinic acid	639655	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	360.30	unknown	https://doi.org/10.1248/CPB.37.1287 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/
2-[3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid	73060756	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O	418.30	unknown	via CMAUP database
3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid	5099	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	360.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1248/CPB.37.1287
Methyl 3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate	76511959	Click to see COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O	374.30	unknown	https://doi.org/10.1248/CPB.37.1287
Methyl Rosmarinate	6479915	Click to see COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O	374.30	unknown	https://doi.org/10.1248/CPB.37.1287
Rosmarinate	5315615	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	360.30	unknown	via CMAUP database
Rosmarinic acid	5281792	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	360.30	unknown	https://doi.org/10.1021/NP50055A023 https://doi.org/10.1248/CPB.57.586 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://doi.org/10.1021/JF980088O https://doi.org/10.1211/146080899128734893 https://doi.org/10.1248/CPB.53.508 https://doi.org/10.1021/NP50108A020 https://doi.org/10.1248/CPB.37.1287 https://doi.org/10.1142/S0192415X08005795
Rosmarinic Acid Methyl Ester	3012090	Click to see COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O	374.30	unknown	https://doi.org/10.1248/CPB.37.1287
Salvianolic acid D	75412558	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O	418.30	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1055/S-2006-961428 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3-(3,4-Dihydroxyphenyl)prop-2-enoate	54710367	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)[O-]	179.15	unknown	via CMAUP database
3,4-Dihydroxy cinnamic acid	2518	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1021/JF980088O https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1211/146080899128734893 https://doi.org/10.1142/S0192415X08005795
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	via CMAUP database
Isoferulic acid	736186	Click to see COC1=C(C=C(C=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0 https://doi.org/10.1055/S-2006-961428
> 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	https://doi.org/10.2210/PDB5YLW/PDB
> 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
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
(2S,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one	98049813	Click to see C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O	304.25	unknown	via CMAUP database
Aromadendrin	122850	Click to see C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	288.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Luteolin	5280445	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Kaempferol	5280863	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
Isoorientin	114776	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	via CMAUP database
Isoscoparin	442611	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O	462.40	unknown	via CMAUP database
Isovitexin	162350	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O	432.40	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
Orientin	5281675	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O	448.40	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
(3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	44258403	Click to see C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	446.40	unknown	via CMAUP database
Baicalin	64982	Click to see C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	446.40	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
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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate	162819283	Click to see C1=CC=C(C=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O	562.50	unknown	https://doi.org/10.1021/NP000345V
5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	21676296	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C4=C(C(=C3)O)C(=O)C(=C(O4)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)OC)O)O)O)O)O)O	786.70	unknown	https://doi.org/10.1021/NP060482D
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
Chryseriol	5280666	Click to see COC1=C(C=CC(=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 / 7-O-methylated flavonoids
5,3'-Dihydroxy-7,4'-dimethoxyflavanone	139074584	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O	316.30	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
Salvigenin	161271	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O	328.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
5-Hydroxy-2',3',7,8-tetramethoxyflavone	5319878	Click to see COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC	358.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans
3,9-Dihydroxypterocarpan	162933	Click to see C1C2C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O	256.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
1,3,8-Trihydroxy-9-methoxy-[1]benzofuro[2,3-b]chromen-11-one	15126297	Click to see COC1=C(C=C2C(=C1)C3=C(O2)OC4=CC(=CC(=C4C3=O)O)O)O	314.25	unknown	via CMAUP database
2'-Hydroxygenistein	5282074	Click to see C1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O	286.24	unknown	via CMAUP database
9-methoxy-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one	10435021	Click to see COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4OC5C(C(C(C(O5)CO)O)O)O	474.40	unknown	https://doi.org/10.1021/NP060482D
Genistein	5280961	Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O	270.24	unknown	via CMAUP database
Lupinalbin A	5324349	Click to see C1=CC2=C(C=C1O)OC3=C2C(=O)C4=C(C=C(C=C4O3)O)O	284.22	unknown	via CMAUP database
Orobol	5281801	Click to see C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O	286.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanones / 8-prenylated isoflavanones
5,7-Dihydroxy-6,8-bis(3-methylbut-2-enyl)-3-(2,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one	10478410	Click to see CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(CO2)C3=CC(=C(C=C3O)O)O)CC=C(C)C)O)C	440.50	unknown	https://doi.org/10.1002/HLCA.201000154
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
Ambocin	5491738	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)(CO)O	564.50	unknown	via CMAUP database
Daidzein 7-O-apiosyl-(1->6)-glucoside	20055730	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)O)O)O)O)O)(CO)O	548.50	unknown	via CMAUP database
Genistin	5281377	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 / O-methylated isoflavonoids / 3-O-methylated isoflavonoids / 3-O-methylisoflavones
3'-Methoxydaidzein	5319422	Click to see COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O	284.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids
(3S)-3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one	92143157	Click to see COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC	316.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
Formononetin	5280378	Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O	268.26	unknown	via CMAUP database
Panchovillin	21676203	Click to see COC1=CC(=CC(=C1OC)OC)C2=COC3=CC(=CC(=C3C2=O)O)O	344.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Macrolides and analogues
(4Z)-4-Ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione	12315046	Click to see CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)O)C	353.40	unknown	via CMAUP database
Anhydrodebromoaplysiatoxin	2195	Click to see CC1C2CC3(C(CC(=C(O3)CC(=O)OC(CC(=O)O2)C(C)O)C)(C)C)OC1C(C)CCC(C4=CC(=CC=C4)O)OC	574.70	unknown	https://doi.org/10.1021/NP060482D
> Phenylpropanoids and polyketides / Phenylpropanoic acids
(2S)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate	25202033	Click to see C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O	197.16	unknown	via CMAUP database
3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid	439435	Click to see C1=CC(=C(C=C1CC(C(=O)O)O)O)O	198.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://doi.org/10.1248/BPB.31.501 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1021/JF980088O
Benzenepropanoic acid, alpha,3,4-trihydroxy-, (aS)-	179536	Click to see C1=CC(=C(C=C1CC(C(=O)O)O)O)O	198.17	unknown	https://doi.org/10.1248/CPB.53.508
Danshensu	11600642	Click to see C1=CC(=C(C=C1CC(C(=O)O)O)O)O	198.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259612/ https://doi.org/10.1021/JF980088O https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/
Sodium;4-(2-carboxy-2-hydroxyethyl)-2-hydroxyphenolate	101781900	Click to see C1=CC(=C(C=C1CC(C(=O)O)O)O)[O-].[Na+]	220.15	unknown	via CMAUP database
sodium;4-[(2R)-2-carboxy-2-hydroxyethyl]-2-hydroxyphenolate	102398267	Click to see C1=CC(=C(C=C1CC(C(=O)O)O)O)[O-].[Na+]	220.15	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
(2R)-2-[(E)-3-[2-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-4,5-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	163105121	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O)O)O	718.60	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
(2R)-2-[(E)-3-[2-[(Z)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	134714969	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O	718.60	unknown	https://doi.org/10.1055/S-2006-961428
(2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid	29927682	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O	494.40	unknown	https://doi.org/10.1211/JPP.58.7.0008
(2S)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid	9913656	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O	494.40	unknown	via CMAUP database
2-[(Z)-3-[2-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid	102120844	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O	718.60	unknown	via CMAUP database
N-Boc-amino-(3-thienyl)aceticacid	502233	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O	494.40	unknown	https://doi.org/10.1211/JPP.58.7.0008
Salvianolic acid A	5281793	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O	494.40	unknown	https://doi.org/10.1016/J.JCHROMB.2006.08.002 https://doi.org/10.1142/S0192415X08005795 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2528888/ https://doi.org/10.1248/CPB.57.586 https://doi.org/10.1055/S-2007-969684
Salvianolic acid E	86278266	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O	718.60	unknown	via CMAUP database
salvianolic acid F	10903113	Click to see C1=CC(=C(C=C1C=CC2=C(C=CC(=C2O)O)C=CC(=O)O)O)O	314.29	unknown	https://doi.org/10.1016/S0031-9422(01)00415-0
Salvianolicacid A	6124301	Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O	494.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyl)oxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]benzoate	101676662	Click to see C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)OC1C(OC(C(C1O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)COC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O	1571.10	unknown	https://doi.org/10.1016/S0031-9422(99)00433-1
Protocatechuic acid 3-glucoside	11972438	Click to see C1=CC(=C(C=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O	316.26	unknown	via CMAUP database

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Salvia miltiorrhiza

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