Angelica pubescens

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Synonyms

Common Names

Subtypes (subspecies, varieties, subvarieties, forms)

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Scientific Literature

Phytochemical Profile

Biological Material

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Details Top

Internal ID	UUID6440096927928741539402
Scientific name	Angelica pubescens
Authority	Maxim.
First published in	Bull. Acad. Imp. Sci. Saint-Pétersbourg , sér. 3, 24: 34 (1877)

Description Top

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Synonyms Top

Scientific name	Authority	First published in
Angelica myriostachys	Koidz.	Bot. Mag. (Tokyo) 33: 122 (1919)
Angelica polyclada	Franch.	Bull. Soc. Bot. France 26: 86 (1879)
Angelica schishiudo	Koidz.	Fl. Symb. Orient.-Asiat. : 45 (1930)

Common names Top

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Language	Common/alternative name
Spanish	angelica myriostachys
Spanish	angelica polyclada
Spanish	angelica schishiudo
Spanish	shishiudo
Chinese	家独活

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Asia-temperate click to expand
- Eastern Asia
  - Japan

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-0000536351
UNII	SV5CN7O3MB
Tropicos	1701405
KEW	urn:lsid:ipni.org:names:837743-1
The Plant List	kew-2639223
Open Tree Of Life	232832
NCBI Taxonomy	312530
IPNI	837743-1
iNaturalist	482445
GBIF	5537546
Freebase	/m/04nghd
EPPO	ANKPU
EOL	5038879
USDA GRIN	400984
Wikipedia	Angelica_pubescens
CMAUP	NPO22273

Genomes (via NCBI) Top

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

Scientific Literature Top

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

Title

Authors

Publication

Released

IDs

Evidence mapping of traditional Chinese medicine in diabetic peripheral neuropathy treatment

Fu Y, Wang Y, Li Z, Huang K, Gao Y, Xu S, Li Q, Liu X, Zhang G

Front Pharmacol

28-Mar-2024

PMCID:	PMC11006961
doi:	10.3389/fphar.2024.1325607
PMID:	38606175

Anti-Inflammatory Effect of Columbianadin against D-Galactose-Induced Liver Injury In Vivo via the JAK2/STAT3 and JAK2/p38/NF-κB Pathways

Ma Z, Peng L, Sheng Y, Chu W, Fu Y

Pharmaceuticals (Basel)

15-Mar-2024

PMCID:	PMC10976170
doi:	10.3390/ph17030378
PMID:	38543164

Scopoletin: a review of its pharmacology, pharmacokinetics, and toxicity

Gao XY, Li XY, Zhang CY, Bai CY

Front Pharmacol

23-Feb-2024

PMCID:	PMC10923241
doi:	10.3389/fphar.2024.1268464
PMID:	38464713

Advancing breastfeeding promotion: leveraging integrative natural galactagogues and unveiling their potential roles—Insights from a 19-year Taiwan nationwide registry to address lactation insufficiency in postpartum women

Liao CC, Chien CH, Hsu TJ, Li JM

Front Nutr

02-Feb-2024

PMCID:	PMC10869601
doi:	10.3389/fnut.2024.1293735
PMID:	38371501

Duhuo Jisheng Decoction regulates intracellular zinc homeostasis by enhancing autophagy via PTEN/Akt/mTOR pathway to improve knee cartilage degeneration

Wang YH, Zhou Y, Gao X, Sun S, Xie YZ, Hu YP, Fu Y, Fan XH, Xie Q

PLoS One

02-Jan-2024

PMCID:	PMC10760926
doi:	10.1371/journal.pone.0290925
PMID:	38166086

Review green synthesis of silver nanoparticles by using plant extracts and their antimicrobial activity

Abada E, Mashraqi A, Modafer Y, Al Abboud MA, El-Shabasy A

Saudi J Biol Sci

26-Nov-2023

PMCID:	PMC10749906
doi:	10.1016/j.sjbs.2023.103877
PMID:	38148949

Gain deeper insights into traditional Chinese medicines using multidimensional chromatography combined with chemometric approaches

Yang X, Zeng P, Wen J, Wang C, Yao L, He M

Chin Herb Med

14-Nov-2023

PMCID:	PMC10874776
doi:	10.1016/j.chmed.2023.07.001
PMID:	38375051

Duhuo Jisheng decoction alleviates neuroinflammation and neuropathic pain by suppressing microglial M1 polarization: a network pharmacology research

Gao C, Zhao Y, Yang T, Gao X, Meng C

J Orthop Surg Res

28-Aug-2023

PMCID:	PMC10463324
doi:	10.1186/s13018-023-04121-9
PMID:	37635236

GelMA Hydrogel as a Promising Delivery System for Osthole in the Treatment of Rheumatoid Arthritis: Targeting the miR-1224-3p/AGO1 Axis

Zhang W, Li Z, Dai Z, Chen S, Guo W, Wang Z, Wei J

Int J Mol Sci

25-Aug-2023

PMCID:	PMC10488209
doi:	10.3390/ijms241713210
PMID:	37686018

Review on the protective activity of osthole against the pathogenesis of osteoporosis

Chen J, Liao X, Gan J

Front Pharmacol

23-Aug-2023

PMCID:	PMC10481961
doi:	10.3389/fphar.2023.1236893
PMID:	37680712

Salt Tolerance Evaluation of Cucumber Germplasm under Sodium Chloride Stress

Li L, Du L, Cao Q, Yang Z, Liu Y, Yang H, Duan X, Meng Z

Plants (Basel)

12-Aug-2023

PMCID:	PMC10459999
doi:	10.3390/plants12162927
PMID:	37631139

Targeting Cell Signaling Pathways in Lung Cancer by Bioactive Phytocompounds

Choudhary N, Bawari S, Burcher JT, Sinha D, Tewari D, Bishayee A

Cancers (Basel)

05-Aug-2023

PMCID:	PMC10417502
doi:	10.3390/cancers15153980
PMID:	37568796

Molecular Mechanism Pathways of Natural Compounds for the Treatment of Non-Alcoholic Fatty Liver Disease

Fang X, Song J, Zhou K, Zi X, Sun B, Bao H, Li L

Molecules

25-Jul-2023

PMCID:	PMC10419790
doi:	10.3390/molecules28155645
PMID:	37570615

Advances of the small molecule drugs regulating fibroblast-like synovial proliferation for rheumatoid arthritis

Tong Y, Li X, Deng Q, Shi J, Feng Y, Bai L

Front Pharmacol

21-Jul-2023

PMCID:	PMC10400780
doi:	10.3389/fphar.2023.1230293
PMID:	37547337

Behavioral, Electrophysiological, and Toxicological Responses of Plutella xylostella to Extracts from Angelica pubescens

Zheng R, Zhao J, Ma L, Qie X, Yan X, Hao C

Insects

06-Jul-2023

PMCID:	PMC10380822
doi:	10.3390/insects14070613
PMID:	37504619

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
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Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Alkaloids and derivatives
7-{[(2,3-dihydroxy-2-isopropylbutanoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate	6435910	Click to see CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O	381.50	unknown	via CMAUP database
> Alkaloids and derivatives / Amaryllidaceae alkaloids / Crinine- and Haemanthamine-type amaryllidaceae alkaloids
(1R,13S,15R,18R)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol	12096833	Click to see COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O	301.34	unknown	via CMAUP database
> Alkaloids and derivatives / Tropane alkaloids
CID 6540490	6540490	Click to see CC=C(C)C(=O)OC1CC2CCC(C1)N2C	223.31	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives
Diphenylcyclopropenone	65057	Click to see C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3	206.24	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid	370	Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O	170.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
2-[2-hydroxy-3-[(1S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-prop-2-enylphenyl]-6-[(6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol	5316936	Click to see CC1=CC(C(CC1)C(C)C)C2=CC(=CC(=C2O)C3=C(C(=CC(=C3)CC=C)C4C=C(CCC4C(C)C)C)O)CC=C	538.80	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Cumenes
m-Cymene	10812	Click to see CC1=CC(=CC=C1)C(C)C	134.22	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
4-tert-Butyl-2-methylphenol	7379	Click to see CC1=C(C=CC(=C1)C(C)(C)C)O	164.24	unknown	via CMAUP database
> Benzenoids / Phenol esters
(Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester	5319394	Click to see CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C)OC	304.34	unknown	via CMAUP database
> Benzenoids / Phenol ethers / Anisoles
Elemicin	10248	Click to see COC1=CC(=CC(=C1OC)OC)CC=C	208.25	unknown	via CMAUP database
> Benzenoids / Phenols / Cresols / Para cresols
P-Cresol	2879	Click to see CC1=CC=C(C=C1)O	108.14	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Nonane	8141	Click to see CCCCCCCCC	128.25	unknown	via CMAUP database
Octane	356	Click to see CCCCCCCC	114.23	unknown	via CMAUP database
Pentadecane	12391	Click to see CCCCCCCCCCCCCCC	212.41	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
3-Methylnonane	22202	Click to see CCCCCCC(C)CC	142.28	unknown	via CMAUP database
4-Methylnonane	28455	Click to see CCCCCC(C)CCC	142.28	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Cycloalkanes
(1-Methylnonyl)cyclohexane	524432	Click to see CCCCCCCCC(C)C1CCCCC1	224.42	unknown	via CMAUP database
3-Cyclohexyldodecane	524423	Click to see CCCCCCCCCC(CC)C1CCCCC1	252.50	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Tetradecene	14260	Click to see CCCCCCCCCCCCC=C	196.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Acyl carnitines
L-Octanoylcarnitine	11953814	Click to see CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	287.39	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
2,3-Dimethylacrylic acid, (E)-	125468	Click to see CC=C(C)C(=O)O	100.12	unknown	via CMAUP database
2,3-Dimethylacrylic acid, (Z)-	643915	Click to see CC=C(C)C(=O)O	100.12	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
7,10-Pentadecadiynoic acid	30942	Click to see CCCCC#CCC#CCCCCCC(=O)O	234.33	unknown	via CMAUP database
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1055/S-2006-957507
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1055/S-2006-957507
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	https://doi.org/10.1055/S-2006-957987
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Nonanoic acid	8158	Click to see CCCCCCCCC(=O)O	158.24	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(3S,8R)-heptadeca-1,9-dien-4,6-diyne-3,8-diol	131954651	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol	11652871	Click to see CC(=O)OCCCCCCCCC=CC(C#CC#CC(C=C)O)O	332.40	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
11,16-Dihydroxyoctadeca-9,17-diene-12,14-diyn-1-yl acetate	53440346	Click to see CC(=O)OCCCCCCCCC=CC(C#CC#CC(C=C)O)O	332.40	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
Falcarindiol	5281148	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
Panaxynol; Carotatoxin	3321	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1055/S-2006-957987
Methyl linoleate	5284421	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC	294.50	unknown	https://doi.org/10.1055/S-2006-957507
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Aconitane-type diterpenoid alkaloids
(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-13-(hydroxymethyl)-6-methoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol	101457306	Click to see CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)CO	393.50	unknown	https://doi.org/10.1055/S-2006-957507
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
CID 469655	469655	Click to see CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O	302.50	unknown	via CMAUP database
ent-Kaur-16-en-19-oic acid	3034087	Click to see CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O	302.50	unknown	via CMAUP database
Kaurenoic acid	73062	Click to see CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O	302.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Taxanes and derivatives
[(2R,3R,4R,7S,10R,11R,14S)-2,3,10-triacetyloxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate	5321432	Click to see CC1C(=O)CC2C(C34C1(C2(C)C)C(C(C3(CCC(C4=C)OC(=O)C(C(C5=CC=CC=C5)N(C)C)O)C)OC(=O)C)OC(=O)C)OC(=O)C	667.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	via CMAUP database
Thymol	6989	Click to see CC1=CC(=C(C=C1)C(C)C)O	150.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-3-Carene	442461	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(-)-Myrtenal	1201529	Click to see CC1(C2CC=C(C1C2)C=O)C	150.22	unknown	via CMAUP database
(+)-3-Carene	443156	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one	23308299	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
3-Carene	26049	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate	9543048	Click to see CC1(C2CC=C(C1C2)C(=O)[O-])C	165.21	unknown	via CMAUP database
alpha-Bergamotene	86608	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	via CMAUP database
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
Pinocamphone	6427105	Click to see CC1C2CC(C2(C)C)CC1=O	152.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-beta-Phellandrene	443161	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	via CMAUP database
Beta-Phellandrene	11142	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
Cyclohexene, 1-methyl-3-(1-methylethenyl)-	10354	Click to see CC1=CC(CCC1)C(=C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene	5879124	Click to see CC1=CCC(C=CCC(=C)CCC1)(C)C	204.35	unknown	via CMAUP database
(Z)-alpha-Bisabolene	5352653	Click to see CC1=CCC(CC1)C(=CCC=C(C)C)C	204.35	unknown	via CMAUP database
2-[(5R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol	9899341	Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O	222.37	unknown	via CMAUP database
2-methyl-5-[(E)-6-methylhept-4-en-2-yl]cyclohexa-1,3-diene	5319594	Click to see CC1=CCC(C=C1)C(C)CC=CC(C)C	204.35	unknown	via CMAUP database
alpha-Bisabolol	10586	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
alpha-Patchoulene	521710	Click to see CC1CCC23C1CC(C2(C)C)CC=C3C	204.35	unknown	via CMAUP database
beta-Bisabolene	10104370	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	via CMAUP database
Bisabolol	1549992	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
cis-Nerolidol	5320128	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
gamma-Patchoulene	521302	Click to see CC1CCC23C1CC(C2(C)C)CCC3=C	204.35	unknown	via CMAUP database
Levomenol	442343	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Ledol	6431133	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(+)-Ledol	11074994	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha)]-	6432561	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Globulol	101716	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Ledol	92812	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Ledum camphor	22297324	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
(+)-alpha-Funebrene	6552024	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	via CMAUP database
(2S,3R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-3-ol	5318513	Click to see CC1C(CC2C13CCC(=C)C(C3)C2(C)C)O	220.35	unknown	via CMAUP database
1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R-(3alpha,3abeta,7beta,8aalpha))-	17750987	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Beta-Elemene	6918391	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Eremophilene	12309744	Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2alpha,4aalpha,8abeta)]-	6432455	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
(3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol	5319977	Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C	442.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
(4aR,9aR)-4,4a,5,6,7,8,8abeta,9-Octahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(9aH)-one	10933426	Click to see CC1CCCC2C1(CC3=C(C(=O)OC3C2)C)C	234.33	unknown	via CMAUP database
6-(3,7-Dimethylocta-2,6-dienyl)-7-hydroxychromen-2-one	5357655	Click to see CC(=CCCC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C)C	298.40	unknown	via CMAUP database
7-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-2H-chromen-2-one	5287282	Click to see CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C	366.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
3-[(3S)-3,7-dihydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-one	5322114	Click to see CC(=CC1CC(C(=O)O1)C2CC=C3C2(CCC4C3(C(CC5C4(CCC(C5(C)C)O)C)O)C)C)C	470.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,5S,9R,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	11560405	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C	400.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86821	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1055/S-2006-957987
24-Ethylcholest-5-en-3beta-ol	22012	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1055/S-2006-957987
Clionasterol	457801	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	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/10.1055/S-2006-957987
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamine and derivatives
2-Amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid	4479242	Click to see C1CC1(NC(=O)CCC(C(=O)O)N)O	202.21	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
4-Aminobutanoate	6992099	Click to see C(CC(=O)[O-])C[NH3+]	103.12	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Guanidines
(11C)guanidine	451298	Click to see C(=N)(N)N	58.07	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
3,4-Dicaffeoylquinic acid	6474309	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	516.40	unknown	via CMAUP database
4,5-Dicaffeoylquinic acid	5281780	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	516.40	unknown	via CMAUP database
Chlorogenic Acid	1794427	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	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
Isochlorogenic acid A	6474310	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O	516.40	unknown	via CMAUP database
Neochlorogenic acid	5280633	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(1R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid	45358121	Click to see C1C2C(O2)C(C=C1C(=O)O)O	156.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
Methyl 4-O-alpha-L-rhamnopyranosyl-alpha-L-rhamnopyranoside	5319595	Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC)C)O)O)O	324.32	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
3-(113C)methylcyclohexan-1-one	11708054	Click to see CC1CCCC(=O)C1	113.16	unknown	via CMAUP database
4-Methylcyclohexanone	11525	Click to see CC1CCC(=O)CC1	112.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
1-(3,8-Dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl)ethanone	5316877	Click to see CC1=C2CC=C(C2CC(CC1)C(=O)C)C	204.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
2'-Hydroxy-4'-methylacetophenone	81338	Click to see CC1=CC(=C(C=C1)C(=O)C)O	150.17	unknown	https://doi.org/10.1055/S-2006-957987
4'-Methoxyacetophenone	7476	Click to see CC(=O)C1=CC=C(C=C1)OC	150.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
Ether, dodecyl isopropyl	537042	Click to see CCCCCCCCCCCCOC(C)C	228.41	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans
(+)-Angelikoreanol;Angelikoreanol;Bisabolangelone	85132655	Click to see CC1=CC(=O)C2C(C1)OC(=CC=C(C)C)C2(C)O	248.32	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
(+)-Bisabolangelone	10399769	Click to see CC1=CC(=O)C2C(C1)OC(=CC=C(C)C)C2(C)O	248.32	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
Bisabolangelone	12300142	Click to see CC1=CC(=O)C2C(C1)OC(=CC=C(C)C)C2(C)O	248.32	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
8-Hydroxy-5-[6-hydroxy-4-oxo-2-(2-phenylethyl)chromen-5-yl]-2-(2-phenylethyl)chromen-4-one	5316930	Click to see C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3C4=C5C(=O)C=C(OC5=C(C=C4)O)CCC6=CC=CC=C6)O	530.60	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolines
(3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one	5318575	Click to see C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4NC3=O)C(=O)N2	262.26	unknown	via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(1R,4S,8S,9R,10R,12S)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one	7061245	Click to see CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C	332.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Naphthopyrans
(3R,5R,8S,11S,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione	10406089	Click to see CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5	358.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Trithianes
4-Methyltrithiane	5319805	Click to see CC1CCSSS1	152.30	unknown	via CMAUP database
> Organosulfur compounds / Organic disulfides / Dialkyldisulfides
Dipropyl disulfide	12377	Click to see CCCSSCCC	150.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid	2518	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1055/S-2006-957987
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1055/S-2006-957987
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1055/S-2006-957987
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/10.1055/S-2006-957987
> Phenylpropanoids and polyketides / Coumarins and derivatives
[(1R,2R)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (2R)-2-methylbutanoate	163019543	Click to see CCC(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	378.40	unknown	https://doi.org/10.1248/CPB.30.2025
[(1R,2S)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 2-methylbutanoate	23259941	Click to see CCC(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	378.40	unknown	https://doi.org/10.1016/0031-9422(95)00045-9
[(1R,2S)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate	51534027	Click to see CC(C)CC(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	378.40	unknown	https://doi.org/10.1248/CPB.30.2025
[(1S,2S)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (E)-2-methylbut-2-enoate	122408977	Click to see CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	376.40	unknown	https://doi.org/10.1248/CPB.30.2025
[(1S,2S)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (Z)-2-methylbut-2-enoate	51666243	Click to see CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	376.40	unknown	https://doi.org/10.1016/S0040-4039(00)89436-8 https://doi.org/10.1248/CPB.28.1782 https://doi.org/10.1248/CPB.30.2025
[(1S,2S)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate	51534025	Click to see CC(C)CC(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	378.40	unknown	https://doi.org/10.1248/CPB.30.2025
[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 2-methylbut-2-enoate	5257104	Click to see CC=C(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	376.40	unknown	https://doi.org/10.1248/CPB.30.2025
[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 2-methylbutanoate	74037386	Click to see CCC(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	378.40	unknown	https://doi.org/10.1248/CPB.30.2025
[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbutanoate	51136483	Click to see CC(C)CC(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	378.40	unknown	https://doi.org/10.1248/CPB.30.2025
[2,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 2-methylbut-2-enoate	73756017	Click to see CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	376.40	unknown	https://doi.org/10.1016/S0040-4039(00)89436-8 https://doi.org/10.1248/CPB.28.1782 https://doi.org/10.1248/CPB.30.2025
[2,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate	5319266	Click to see CC(C)CC(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	378.40	unknown	https://doi.org/10.1248/CPB.30.2025
6-(1-Ethoxy-2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one	162984336	Click to see CCOC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	322.40	unknown	https://doi.org/10.1055/S-2006-958145
7-Methoxy-5-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enoyl)chromen-2-one	163089234	Click to see CC(=CCOC1=CC(=C(C2=C1C=CC(=O)O2)C(=O)C=C(C)C)OC)C	342.40	unknown	https://doi.org/10.1248/CPB.28.1782
7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one	44715831	Click to see CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O)O	294.30	unknown	https://doi.org/10.1055/S-2006-958145
7-Methoxy-8-(3-methylbut-2-enoyl)-2H-1-benzopyran-2-one	15945059	Click to see CC(=CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC)C	258.27	unknown	https://doi.org/10.1248/CPB.28.1782
8-(3-Hydroxy-isovaleroyl)-5,7-dimethoxycoumarin	129711228	Click to see CC(C)(CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O	306.31	unknown	https://doi.org/10.1248/CPB.28.1782
Angelicone	616303	Click to see CC(=CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C	288.29	unknown	https://doi.org/10.1016/S0040-4039(00)89436-8 https://doi.org/10.1248/CPB.28.1782
Angelitriol	10017318	Click to see CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O)O	294.30	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1055/S-2006-958145
Angelol A	21669994	Click to see CC=C(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	376.40	unknown	https://doi.org/10.1055/S-2006-957987 https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1248/CPB.30.2025
angelol B	10022392	Click to see CC=C(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	376.40	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1016/0031-9422(95)00045-9 https://doi.org/10.1248/CPB.30.2025
Angelol D	5318740	Click to see CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	376.40	unknown	https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1016/0031-9422(95)00045-9
Angelol G	10362168	Click to see CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	376.40	unknown	https://doi.org/10.1055/S-2006-957987 https://doi.org/10.1016/0031-9422(95)00045-9
Angelol H	44144314	Click to see CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	376.40	unknown	https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1016/0031-9422(95)00045-9
Angelol K	10248936	Click to see CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	376.40	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1016/0031-9422(95)00045-9
Angelol L	15230415	Click to see CC(C)CC(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	378.40	unknown	https://doi.org/10.1016/0031-9422(95)00045-9
angelol-J	10087472	Click to see CCOC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	322.40	unknown	https://doi.org/10.1055/S-2006-958145
Coumurrayin	176911	Click to see CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C	274.31	unknown	https://doi.org/10.1248/CPB.28.1782
Meranzin hydrate	5070783	Click to see CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O	278.30	unknown	via CMAUP database
Osthol	10228	Click to see CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C	244.28	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1248/CPB.33.5351 https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9 https://doi.org/10.1055/S-2006-957987 https://doi.org/10.1248/CPB.28.1782 https://doi.org/10.1055/S-0038-1651041 https://doi.org/10.1016/S0040-4039(00)89436-8
Ulopterol	176475	Click to see CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O	278.30	unknown	https://doi.org/10.1055/S-2006-957507
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one	11953803	Click to see COC1=C(C=C2C(=C1)CCC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O	356.32	unknown	via CMAUP database
Apiosylskimmin	14236613	Click to see C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O)O)O)O)(CO)O	456.40	unknown	https://doi.org/10.1055/S-2006-957507
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Angular furanocoumarins
(-)-Columbianetin	442104	Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	246.26	unknown	https://doi.org/10.1055/S-2006-957507
2-(2-Oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate	5316020	Click to see CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	288.29	unknown	https://doi.org/10.1055/S-2006-957987 https://doi.org/10.1055/S-2006-957507
2-(2-Oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl propanoate	162979060	Click to see CCC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	302.32	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0031-9422(97)00951-5
2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate	53399217	Click to see CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	328.40	unknown	via CMAUP database
8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one	150888	Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	246.26	unknown	via CMAUP database
Angelicin	10658	Click to see C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3	186.16	unknown	via CMAUP database
Columbianadin	6436246	Click to see CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	328.40	unknown	https://doi.org/10.1055/S-2006-957987
Columbianetin	92201	Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	246.26	unknown	via CMAUP database
Columbianetin acetate	161409	Click to see CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	288.29	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1055/S-2006-957987
Columbianetin propionate	15389539	Click to see CCC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	302.32	unknown	https://doi.org/10.1055/S-2006-957507
Isobergapten	68082	Click to see COC1=C2C=CC(=O)OC2=C3C=COC3=C1	216.19	unknown	via CMAUP database
Sphondin	108104	Click to see COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2	216.19	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Linear furanocoumarins
9-Hydroxy-5,6-dihydrofuro[3,2-g]chromen-7-one	29920867	Click to see C1CC(=O)OC2=C1C=C3C=COC3=C2O	204.18	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
2-(2-Hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one	604512	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	246.26	unknown	via CMAUP database
2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one	5319288	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O	408.40	unknown	via CMAUP database
Ammijin	216283	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O	408.40	unknown	via CMAUP database
Isoimperatorin	68081	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	270.28	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1055/S-2006-957987
Nodakenetin	26305	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	246.26	unknown	via CMAUP database
Nodakenin	73191	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O	408.40	unknown	https://doi.org/10.1055/S-2006-957507
Pentosalen	10212	Click to see CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	270.28	unknown	via CMAUP database
Psoralen	6199	Click to see C1=CC(=O)OC2=CC3=C(C=CO3)C=C21	186.16	unknown	https://doi.org/10.1248/CPB.28.1782 https://doi.org/10.1055/S-2006-957987
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
(Rac)-Byakangelicin	616063	Click to see CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O	334.30	unknown	https://doi.org/10.1248/CPB.28.1782
9-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one	5315583	Click to see CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O	334.30	unknown	https://doi.org/10.1248/CPB.28.1782
9-[(3,3-Dimethyl-2-oxiranyl)methoxy]-4-methoxy-7H-furo[3,2-g]chromen-7-one	51520866	Click to see CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C	316.30	unknown	https://doi.org/10.1248/CPB.28.1782
Bergapten	2355	Click to see COC1=C2C=CC(=O)OC2=CC3=C1C=CO3	216.19	unknown	https://doi.org/10.1248/CPB.28.1782 https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1016/S0040-4039(00)89436-8 https://doi.org/10.1055/S-2006-957987
Byakangelicol (Biacangelicol)	616062	Click to see CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C	316.30	unknown	https://doi.org/10.1248/CPB.28.1782
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
Cnidilin	821449	Click to see CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C	300.30	unknown	via CMAUP database
Isopimpinellin	68079	Click to see COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC	246.21	unknown	https://doi.org/10.1248/CPB.28.1782
Methoxsalen	4114	Click to see COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	216.19	unknown	https://doi.org/10.1248/CPB.28.1782 https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1055/S-2006-957987
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
3,4,5,6,8-Pentadeuterio-7-hydroxychromen-2-one	45358955	Click to see C1=CC(=CC2=C1C=CC(=O)O2)O	167.17	unknown	via CMAUP database
Osthenol	5320318	Click to see CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C	230.26	unknown	https://doi.org/10.1055/S-2006-957507
Scopoletin	5280460	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O	192.17	unknown	https://doi.org/10.1248/CPB.28.1782
Umbelliferone	5281426	Click to see C1=CC(=CC2=C1C=CC(=O)O2)O	162.14	unknown	https://doi.org/10.1055/S-2006-957507 https://doi.org/10.1055/S-2006-957987
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
Epicatechin	72276	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Herbacetin	5280544	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O	302.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)	443915	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O)O)O	535.40	unknown	via CMAUP database
Kuromanin	441667	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	449.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides
Kaempferol 3-glucuronide	5318759	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O	462.40	unknown	via CMAUP database
Querciturone	5274585	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
3-[6-O-(beta-D-Glucopyranosyl)-beta-D-galactopyranosyloxy]-3',4',5,7-tetrahydroxyflavone	10282712	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O	626.50	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
kaempferol 3-O-beta-D-(6''-O-malonyl)-glucoside	14162699	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O	534.40	unknown	via CMAUP database
Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside	5282159	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O	550.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
Thymonin	442662	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)O	360.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Coumestans
Isopsoralidin	12304285	Click to see CC1(CCC2=CC3=C(C=C2O1)OC(=O)C4=C3OC5=C4C=CC(=C5)O)C	336.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Pyranoisoflavonoids
Psoralenol	5320772	Click to see CC1(C(CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C	338.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
4-[2-(4-Hydroxy-2,3,5,6-tetramethylphenyl)ethyl]-2,3,5,6-tetramethylphenol	5319610	Click to see CC1=C(C(=C(C(=C1CCC2=C(C(=C(C(=C2C)C)O)C)C)C)C)O)C	326.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
Ellagic Acid	5281855	Click to see C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O	302.19	unknown	via CMAUP database

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Angelica pubescens

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