Hansenia weberbaueriana

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Description

Synonyms

Common Names

Subtypes (subspecies, varieties, subvarieties, forms)

Germination/Propagation

Distribution

Links to other databases

Genome

Scientific Literature

Phytochemical Profile

Biological Material

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Details Top

Internal ID	UUID644005eaa1731436887750
Scientific name	Hansenia weberbaueriana
Authority	(Fedde ex H.Wolff) Pimenov & Kljuykov
First published in	Willdenowia 38: 169 (2008)

Description Top

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Synonyms Top

Scientific name	Authority	First published in
Notopterygium incisum	Ting ex H.T.Chang	Acta Phytotax. Sin. 13(3): 86 (1975)
Hansenia pinnatiinvolucellata	(F.T.Pu & Y.P.Wang) Pimenov & Kljuykov	Willdenowia 38: 169 (2008)
Ligusticum weberbauerianum	Fedde ex H.Wolff	Repert. Spec. Nov. Regni Veg. 27: 312 (1930)
Notopterygium weberbauerianum	(Fedde ex H.Wolff) Pimenov & Kljuykov	Feddes Repert. 110: 485 (1999)
Notopterygium pinnatiinvolucellatum	F.T.Pu & Y.P.Wang	J. Sichuan Univ., Nat. Sci. Ed. 31: 386 (1994)

Common names Top

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Language	Common/alternative name
Chinese	羌活

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
- China
  - China North-central
  - China South-central
  - Qinghai
  - Tibet

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000509489
KEW	urn:lsid:ipni.org:names:77091722-1
The Plant List	kew-2607384
Open Tree Of Life	142210
NCBI Taxonomy	54724
IPNI	77091722-1
iNaturalist	910546
GBIF	5537964
USDA GRIN	462766
CMAUP	NPO2392

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

Genetic variation and structure of endemic and endangered wild celery (Kelussia odoratissima Mozaff.) quantified using novel microsatellite markers developed by next-generation sequencing

Mahdavikia F, Ebadi MT, Shojaeiyan A, Ayyari M, Falahati-Anbaran M

Front Plant Sci

04-Apr-2024

PMCID:	PMC11024376
doi:	10.3389/fpls.2024.1301936

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

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

Front Pharmacol

03-Apr-2024

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

Integrated transcriptomic and metabolomic analysis reveals the regulation mechanism of early bolting and flowering in two cultivars of Angelica sinensis

Zhu C, Bai Y, Jiang Y, Zhang Y, Wang S, Wang F, Sun Z

Heliyon

27-Mar-2024

PMCID:	PMC10990851
doi:	10.1016/j.heliyon.2024.e28636
PMID:	38576577

Notopterol mitigates IL-1β-triggered pyroptosis by blocking NLRP3 inflammasome via the JAK2/NF-kB/hsa-miR-4282 route in osteoarthritis

Chen KT, Yeh CT, Yadav VK, Pikatan NW, Fong IH, Lee WH, Chiu YS

Heliyon

13-Mar-2024

PMCID:	PMC10963379
doi:	10.1016/j.heliyon.2024.e28094
PMID:	38532994

Advantages of Chinese herbal medicine in treating rheumatoid arthritis: a focus on its anti-inflammatory and anti-oxidative effects

Wang X, Kong Y, Li Z

Front Med (Lausanne)

07-Mar-2024

PMCID:	PMC10954842
doi:	10.3389/fmed.2024.1371461
PMID:	38515982

Study on medicinal food plants in the Gaoligongshan Biosphere Reserve, the richest biocultural diversity center in China

Cheng Z, Lin S, Wu Z, Lin C, Zhang Q, Xu C, Li J, Long C

J Ethnobiol Ethnomed

15-Jan-2024

PMCID:	PMC10790445
doi:	10.1186/s13002-023-00638-9
PMID:	38225656

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

Notopterol Suppresses IL-17-Induced Proliferation and Invasion of A549 Lung Adenocarcinoma Cells via Modulation of STAT3, NF-κB, and AP-1 Activation

Inthanon S, Dejkriengkraikul P, Yodkeeree S

Int J Mol Sci

11-Oct-2023

PMCID:	PMC10606807
doi:	10.3390/ijms242015057
PMID:	37894738

Phylogeography and ecological niche modeling implicate multiple microrefugia of Swertia tetraptera during quaternary glaciations

Yang L, Zhou G

BMC Plant Biol

26-Sep-2023

PMCID:	PMC10521563
doi:	10.1186/s12870-023-04471-w
PMID:	37749488

Effects of climate warming and human activities on the distribution patterns of Fritillaria unibracteata in eastern Qinghai-Tibetan Plateau

Zhao D, Wang J, Dai W, Ye K, Chen J, Lai Q, Li H, Zhong B, Yu X

Sci Rep

22-Sep-2023

PMCID:	PMC10516939
doi:	10.1038/s41598-023-42988-0
PMID:	37737302

Active metabolites and potential mechanisms of Notopterygium incisum against obstructive sleep apnea Syndrome (OSAS): network analysis and experimental assessment

Liu P, Tang W, Zhao D, Zhou P, Hu K

Front Pharmacol

31-Aug-2023

PMCID:	PMC10500596
doi:	10.3389/fphar.2023.1185100
PMID:	37719850

Integrative traditional Chinese medicine treatment for children with obstructive sleep apnea

Lai WY, Wei CC, Lin CH, Hang LW, Shih YH, Huang FW, Yen HR

J Tradit Complement Med

07-Aug-2023

PMCID:	PMC10785241
doi:	10.1016/j.jtcme.2023.08.002
PMID:	38223810

Network pharmacological analysis on the mechanism of Coix seed decoction for osteoarthritis of the knee

Qiu J, Chen R, Song C, Wang X, Xiang W, Huang S, Su Q, Deng G, Wu J, Chen X

Medicine (Baltimore)

04-Aug-2023

PMCID:	PMC10403044
doi:	10.1097/MD.0000000000034464
PMID:	37543793

Based on network pharmacology and molecular docking to predict the mechanism of TMDZ capsule in the treatment of IS

Yang F, Gu Y, Yan Y, Wang G

Medicine (Baltimore)

28-Jul-2023

PMCID:	PMC10378803
doi:	10.1097/MD.0000000000034424
PMID:	37505183

Efficacy and safety of Danggui Niantong Decoction in patients with gout: a systematic review and meta-analysis

Peng S, Tian J, Jin L, Wang H, Xie C, Zheng J, Liu L, Cao J, Zhang W, Zhang X

Front Pharmacol

26-Jul-2023

PMCID:	PMC10426740
doi:	10.3389/fphar.2023.1168863
PMID:	37587984

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
> Benzenoids / Benzene and substituted derivatives
3-Phenylpropyl acetate	31226	Click to see CC(=O)OCCCC1=CC=CC=C1	178.23	unknown	via CMAUP database
Ethylbenzene	7500	Click to see CCC1=CC=CC=C1	106.16	unknown	via CMAUP database
Phenylethyl Alcohol	6054	Click to see C1=CC=C(C=C1)CCO	122.16	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
1,2-Benzenedi(carboxylic-14C)acid, dibutyl ester	171810	Click to see CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC	282.33	unknown	via CMAUP database
Benzyl Benzoate	2345	Click to see C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2	212.24	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillate	54675858	Click to see COC1=C(C=CC(=C1)C(=O)O)[O-]	167.14	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
2-(4-Hydroxyphenyl)ethyl 4-methoxybenzoate	14704104	Click to see COC1=CC=C(C=C1)C(=O)OCCC2=CC=C(C=C2)O	272.29	unknown	https://doi.org/10.1248/CPB.38.2498 https://doi.org/10.1248/CPB.31.2712
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
Magnolol	72300	Click to see C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O	266.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3196969/
> 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 / Phenylpropenes
1-Methyl-4-(prop-1-en-2-yl)benzene	62385	Click to see CC1=CC=C(C=C1)C(=C)C	132.20	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Styrenes
2,4-Dimethylstyrene	16694	Click to see CC1=CC(=C(C=C1)C=C)C	132.20	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / o-Xylenes
1-Ethyl-2,3-dimethylbenzene	13621	Click to see CCC1=CC=CC(=C1C)C	134.22	unknown	via CMAUP database
> Benzenoids / Naphthalenes / Naphthoquinones
Tricrozarin A	129974	Click to see COC1=C(C(=O)C2=C(C1=O)C(=C3C(=C2O)OCO3)O)OC	294.21	unknown	via CMAUP database
> Benzenoids / Phenol ethers / Anisoles
1-Ethyl-4-methoxybenzene	73690	Click to see CCC1=CC=C(C=C1)OC	136.19	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol	5319469	Click to see COCC=CC1=CC(=C(C=C1)O)OC	194.23	unknown	via CMAUP database
> Hydrocarbons / Polycyclic hydrocarbons
Bornylene	10047	Click to see CC1(C2CCC1(C=C2)C)C	136.23	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Eicosane	8222	Click to see CCCCCCCCCCCCCCCCCCCC	282.50	unknown	via CMAUP database
Heptane	8900	Click to see CCCCCCC	100.20	unknown	via CMAUP database
Heptane-d16	524600	Click to see CCCCCCC	116.30	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
CID 11115931	11115931	Click to see CC[CH]C(=C)CC	97.18	unknown	via CMAUP database
gamma-Terpinene	7461	Click to see CC1=CCC(=CC1)C(C)C	136.23	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
Octadecanoic acid, 2-[bis(2-hydroxyethyl)amino]ethyl ester	87054	Click to see CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCO	415.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Cyanolipids / Type 1 cyanolipids
[(Z)-3-cyano-2-methylprop-2-enyl] icos-14-enoate	6325128	Click to see CCCCCC=CCCCCCCCCCCCCC(=O)OCC(=CC#N)C	389.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
methyl (4Z,8E)-trideca-4,8,12-trienoate	5322113	Click to see COC(=O)CCC=CCCC=CCCC=C	222.32	unknown	via CMAUP database
Methyl 12-methyltetradecanoate	21206	Click to see CCC(C)CCCCCCCCCCC(=O)OC	256.42	unknown	via CMAUP database
Methyl 14-methylhexadecanoate	520159	Click to see CCC(C)CCCCCCCCCCCCC(=O)OC	284.50	unknown	via CMAUP database
Methyl arachidate	14259	Click to see CCCCCCCCCCCCCCCCCCCC(=O)OC	326.60	unknown	via CMAUP database
Methyl Stearate	8201	Click to see CCCCCCCCCCCCCCCCCC(=O)OC	298.50	unknown	via CMAUP database
Methyl tetradecanoate	31284	Click to see CCCCCCCCCCCCCC(=O)OC	242.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(Z)-9,10-dideuteriooctadec-9-enoic acid	13011408	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
12-Octadecenoic acid	5282762	Click to see CCCCCC=CCCCCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
7,10-Pentadecadiynoic acid	30942	Click to see CCCCC#CCC#CCCCCCC(=O)O	234.33	unknown	via CMAUP database
Arachidate	5461017	Click to see CCCCCCCCCCCCCCCCCCCC(=O)[O-]	311.50	unknown	via CMAUP database
Arachidic Acid	10467	Click to see CCCCCCCCCCCCCCCCCCCC(=O)O	312.50	unknown	via CMAUP database
cis-12-Octadecenoic acid	446285	Click to see CCCCCC=CCCCCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Eicos-11-enoic acid	142770	Click to see CCCCCCCCC=CCCCCCCCCCC(=O)O	310.50	unknown	via CMAUP database
Elaidic Acid	637517	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Gondoic Acid	5282768	Click to see CCCCCCCCC=CCCCCCCCCCC(=O)O	310.50	unknown	via CMAUP database
Heptadecanoic acid	10465	Click to see CCCCCCCCCCCCCCCCC(=O)O	270.50	unknown	via CMAUP database
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	via CMAUP database
Nonadecanoic acid	12591	Click to see CCCCCCCCCCCCCCCCCCC(=O)O	298.50	unknown	via CMAUP database
Octadec-12-enoic acid	151512	Click to see CCCCCC=CCCCCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1248/CPB.41.926
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	via CMAUP database
Pentadecanoic acid	13849	Click to see CCCCCCCCCCCCCCC(=O)O	242.40	unknown	via CMAUP database
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
trans-11-Eicosenoic acid	5282769	Click to see CCCCCCCCC=CCCCCCCCCCC(=O)O	310.50	unknown	via CMAUP database
Tridecanoic acid	12530	Click to see CCCCCCCCCCCCC(=O)O	214.34	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	via CMAUP database
Caproic Acid	8892	Click to see CCCCCC(=O)O	116.16	unknown	via CMAUP database
Heptanoic Acid	8094	Click to see CCCCCCC(=O)O	130.18	unknown	via CMAUP database
Lauric Acid	3893	Click to see CCCCCCCCCCCC(=O)O	200.32	unknown	via CMAUP database
Nonanoic acid	8158	Click to see CCCCCCCCC(=O)O	158.24	unknown	via CMAUP database
Octanoic acid	379	Click to see CCCCCCCC(=O)O	144.21	unknown	via CMAUP database
Undecanoic acid	8180	Click to see CCCCCCCCCCC(=O)O	186.29	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
But-2-enoic acid	19499	Click to see CC=CC(=O)O	86.09	unknown	via CMAUP database
Valeric acid	7991	Click to see CCCCC(=O)O	102.13	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
(113C)Tetracosanoic acid	16213616	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	369.60	unknown	via CMAUP database
(E)-docos-12-enoic acid	14671634	Click to see CCCCCCCCCC=CCCCCCCCCCCC(=O)O	338.60	unknown	via CMAUP database
Behenic Acid	8215	Click to see CCCCCCCCCCCCCCCCCCCCCC(=O)O	340.60	unknown	via CMAUP database
Heptacosanoate;hydron	118523814	Click to see [H+].CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]	410.70	unknown	via CMAUP database
Hexacosanoic acid	10469	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	396.70	unknown	via CMAUP database
Octacosanedioic acid	5320251	Click to see C(CCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCC(=O)O	454.70	unknown	via CMAUP database
Pentacosanoic acid	10468	Click to see CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	382.70	unknown	via CMAUP database
Tetracosanoic acid	11197	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	368.60	unknown	via CMAUP database
Tricosanoic acid	17085	Click to see CCCCCCCCCCCCCCCCCCCCCCC(=O)O	354.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(10E)-heptadeca-1,10-dien-4,6-diyne-3,8,9-triol	6475018	Click to see CCCCCCC=CC(C(C#CC#CC(C=C)O)O)O	276.40	unknown	via CMAUP database
(3S,8R,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol	91973785	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
(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/10.1248/CPB.41.926 https://doi.org/10.1055/S-2006-957653
(8S,9Z)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol	46887429	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
(E,R)-Heptadeca-1,9-dien-4,6-diyne-3-ol	56935896	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
1,9-Heptadecadiene-4,6-diyne-3,8-diol	6436239	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
Crithmumdiol	101005738	Click to see CCCCCCCC=CC(C#CC=CC(C=C)O)O	262.40	unknown	via CMAUP database
Falcalindiol	56935895	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
Falcarindiol	5281148	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	https://doi.org/10.1248/CPB.41.926 https://doi.org/10.1055/S-2006-957653
Heptadeca-1,9-dien-4,6-diyne-3,8-diol	5283263	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
Heptadeca-1,9-diene-4,6-diyne-3,8-diol	5317309	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
Panaxynol; Carotatoxin	3321	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(8E,11E,14E)-octadeca-8,11,14-trienoic acid	6507258	Click to see CCCC=CCC=CCC=CCCCCCCC(=O)O	278.40	unknown	via CMAUP database
8,11,14-Octadecatrienoic acid	21015	Click to see CCCC=CCC=CCC=CCCCCCCC(=O)O	278.40	unknown	via CMAUP database
9,12-Octadecadienoic acid	3931	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
9,12-Octadecadienoic acid, (E,Z)-	5282798	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
9Z,12E-octadecadienoic acid	5282797	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linoelaidic acid	5282457	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1248/CPB.41.926
> Lipids and lipid-like molecules / Glycerolipids / Triradylcglycerols / Triacylglycerols
Tristearin	11146	Click to see CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	891.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Aconitane-type diterpenoid alkaloids
Cammaconine	441715	Click to see CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC)CO	407.50	unknown	https://doi.org/10.1248/CPB.41.926
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
[(1S,4S,5R,6R,9S,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl hexadecanoate	5318035	Click to see CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C	586.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(E,Z)-2,6-Dimethylocta-2,4,6-triene	5371125	Click to see CC=C(C)C=CC=C(C)C	136.23	unknown	via CMAUP database
beta-OCIMENE, (3E)-	5281553	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	via CMAUP database
beta-Ocimene, (3Z)-	5320250	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	via CMAUP database
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
2-Isopropyl-5-methylanisole	14104	Click to see CC1=CC(=C(C=C1)C(C)C)OC	164.24	unknown	via CMAUP database
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-(1S,4S)-Borneol	6850744	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
(-)-2-Carene	6430755	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
(-)-3-Carene	442461	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(-)-Bornyl chloride	12300205	Click to see CC1(C2CCC1(C(C2)Cl)C)C	172.69	unknown	via CMAUP database
(-)-Camphene	440966	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	via CMAUP database
(+)-2-Carene	78249	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
(+)-3-Carene	443156	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(+)-Camphene	92221	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	via CMAUP database
(1R,2S,4R)-Borneol	439568	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene	6451618	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	via CMAUP database
(1S-endo)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol	10049	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol	12242815	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
(1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol	12314318	Click to see CC1(C2CC1C(=C)C(C2)O)C	152.23	unknown	via CMAUP database
(1S,3R)-cis-4-Carene	16211586	Click to see CC1CC2C(C2(C)C)C=C1	136.23	unknown	via CMAUP database
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene	12223113	Click to see CC1=CCC2CC1C2(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
(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane	6429260	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	via CMAUP database
1-Isopropyl-4-methylenebicyclo[3.1.0]hex-2-ene	524198	Click to see CC(C)C12CC1C(=C)C=C2	134.22	unknown	via CMAUP database
1,4-Cineole	10106	Click to see CC(C)C12CCC(O1)(CC2)C	154.25	unknown	via CMAUP database
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol	64685	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
10-Hydroxyverbenone	101594685	Click to see CC1(C2CC1C(=O)C=C2CO)C	166.22	unknown	via CMAUP database
2-Carene	79044	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
3-Carene	26049	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
4,7,7-Trimethylbicyclo[4.1.0]hept-2-ene	530422	Click to see CC1CC2C(C2(C)C)C=C1	136.23	unknown	via CMAUP database
6,6-Dimethylbicyclo[3.1.1]heptan-2-one	32735	Click to see CC1(C2CCC(=O)C1C2)C	138.21	unknown	via CMAUP database
alpha-Fenchene	28930	Click to see CC1(C2CCC1C(=C)C2)C	136.23	unknown	via CMAUP database
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
beta-Pinene, 3-(acetylmethyl)-	539536	Click to see CC(=O)CC1CC2CC(C1=C)C2(C)C	192.30	unknown	via CMAUP database
Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, (1S-cis)-	12302456	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-	439569	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-	17868	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	via CMAUP database
Borneo camphor	12242824	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Borneol	6552009	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Borneol, (-)-	1201518	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Bornyl acetate	6448	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
Bornyl chloride	10048	Click to see CC1(C2CCC1(C(C2)Cl)C)C	172.69	unknown	via CMAUP database
Bornyl chloride, (+)-	12300207	Click to see CC1(C2CCC1(C(C2)Cl)C)C	172.69	unknown	via CMAUP database
Camphene	6616	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	via CMAUP database
Camphor	2537	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
Camphor, (1S,4S)-(-)-	10050	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
DL-Borneol	10492	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Fenchol	15406	Click to see CC1(C2CCC(C2)(C1O)C)C	154.25	unknown	via CMAUP database
Fenchol, exo-	71300291	Click to see CC1(C2CCC(C2)(C1O)C)C	154.25	unknown	via CMAUP database
Isoborneol	6321405	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
L-Born-2-yl acetate	44630108	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
Myrtenal	61130	Click to see CC1(C2CC=C(C1C2)C=O)C	150.22	unknown	via CMAUP database
Myrtenol	10582	Click to see CC1(C2CC=C(C1C2)CO)C	152.23	unknown	via CMAUP database
Pinocarveol	102667	Click to see CC1(C2CC1C(=C)C(C2)O)C	152.23	unknown	via CMAUP database
Sabinen	18818	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	via CMAUP database
Sumatra camphor	657014	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
trans-Borneol	44630107	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Tricyclene	79035	Click to see CC1(C2CC3C1(C3C2)C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-alpha-Terpineol	443162	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	via CMAUP database
(-)-Terpinen-4-ol	5325830	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
(+)-alpha-Phellandrene	443160	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
(+)-alpha-Terpineol	442501	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	via CMAUP database
(R)-(+)-4-Isopropylcyclohex-1-ene-1-carboxaldehyde	12305140	Click to see CC(C)C1CCC(=CC1)C=O	152.23	unknown	via CMAUP database
(Z)-p-Menth-2-en-1-ol	13918681	Click to see CC(C)C1CCC(C=C1)(C)O	154.25	unknown	via CMAUP database
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-	526657	Click to see CC(C)C1CCC(C=C1)(C)O	154.25	unknown	via CMAUP database
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-	122484	Click to see CC(C)C1CCC(C=C1)(C)O	154.25	unknown	via CMAUP database
4-Terpineol, (+/-)-	11230	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
alpha-PHELLANDRENE	7460	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
alpha-Terpinene	7462	Click to see CC1=CC=C(CC1)C(C)C	136.23	unknown	via CMAUP database
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	via CMAUP database
cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol	122485	Click to see CC(C)C1CCC(C=C1)(C)O	154.25	unknown	via CMAUP database
Cyclohexene, 1-methyl-4-(1-methylethyl)-	21671	Click to see CC1=CCC(CC1)C(C)C	138.25	unknown	via CMAUP database
Limonene, (-)-	439250	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+)-	440917	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
p-Menth-3-en-1-ol	11468	Click to see CC(C)C1=CCC(CC1)(C)O	154.25	unknown	via CMAUP database
p-Mentha-1,3,8-triene	176983	Click to see CC1=CC=C(CC1)C(=C)C	134.22	unknown	via CMAUP database
Phellandral	89488	Click to see CC(C)C1CCC(=CC1)C=O	152.23	unknown	via CMAUP database
Terpinolene	11463	Click to see CC1=CCC(=C(C)C)CC1	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Retinoids
Retinol	445354	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C	286.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Cubebene	86609	Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C	204.35	unknown	via CMAUP database
(+)-delta-Cadinene	441005	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
(1Z,4E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene	45115091	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	via CMAUP database
1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene	519346	Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C	202.33	unknown	via CMAUP database
1-Methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalene-1,4a-diol	12302239	Click to see CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O	238.37	unknown	via CMAUP database
1R,4S,7S,11R-2,2,4,8-Tetramethyltricyclo[5.3.1.0(4,11)]undec-8-ene	573293	Click to see CC1=CCC2C3C1CCC3(CC2(C)C)C	204.35	unknown	via CMAUP database
2-(3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-ol	521245	Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O	222.37	unknown	via CMAUP database
2-[(3r,5s,8r)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol	72607	Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O	222.37	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
beta-Bisabolene	10104370	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	via CMAUP database
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
Bulnesol	90785	Click to see CC1CCC2=C(CCC(CC12)C(C)(C)O)C	222.37	unknown	via CMAUP database
Chrysothol	16085188	Click to see CC(C)C1CCC2(C3CCC(C3C1O2)(C)O)C	238.37	unknown	via CMAUP database
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-	89316	Click to see CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C	204.35	unknown	via CMAUP database
Dehydroxy-isocalamendiol	535379	Click to see CC1CC=C(C2(C1CCC(=C)C2)O)C(C)C	220.35	unknown	via CMAUP database
Farfaratin	6443977	Click to see CCC(=CC(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)C	390.50	unknown	via CMAUP database
Guaiol	227829	Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O	222.37	unknown	via CMAUP database
Humulene	5281520	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	via CMAUP database
Isocalamenediol	91747826	Click to see CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O	238.37	unknown	via CMAUP database
Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-	519298	Click to see CC1CCC(C2C1=CCC(=C2)C)C(C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aristolane sesquiterpenoids
1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-(+)-	6432176	Click to see CC1CCC=C2C1(C3C(C3(C)C)CC2)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
(-)-Epicedrol	6713078	Click to see CC1CCC2C13CCC(C(C3)C2(C)C)(C)O	222.37	unknown	via CMAUP database
beta-Cedrene	11106485	Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C	204.35	unknown	via CMAUP database
Cedran-8-ol	522667	Click to see CC1CCC2C13CCC(C(C3)C2(C)C)(C)O	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Chamigranes
beta-Chamigrene	29073	Click to see CC1=CCC2(CC1)C(=C)CCCC2(C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Shyobunone	5321293	Click to see CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C	220.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
beta-Selinene	442393	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	via CMAUP database
Celerioside E	101265700	Click to see CC12CCC(CC1C(CCC2O)(C)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O	418.50	unknown	via CMAUP database
delta-Selinene	520383	Click to see CC1=C2C=C(CCC2(CCC1)C)C(C)C	204.35	unknown	via CMAUP database
Zingiberol	5317270	Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(+)-germacrene D	24771782	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	74764030	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	92003564	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	49796490	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene	6436582	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]-	5373727	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
Germacrene D	5317570	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
Hedycariol	21768605	Click to see CC1=CCCC(=CCC(CC1)C(C)(C)O)C	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
Teucladiol	16046185	Click to see CC(C)C1CCC(=C)C2CCC(C2C1O)(C)O	238.37	unknown	via CMAUP database
Teuclatriol	91884970	Click to see CC(C)C1CCC(C2CCC(C2C1O)(C)O)(C)O	256.38	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
Pinen-10-yl vicianoside	3036428	Click to see CC1(C2CCC(=C(C3C(C(C(C(O3)OC)O)O)O)OC4C(C(C(CO4)O)O)O)C1C2)C	446.50	unknown	via CMAUP database
Pumilaside A	10526066	Click to see CC(C)C1CCC2(C(CCC(C2C1OC3C(C(C(C(O3)CO)O)O)O)(C)O)O)C	418.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
[(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	6325178	Click to see CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O	524.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
4-[(2E)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one	5317258	Click to see CCOC(CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C=C(C)C	382.40	unknown	via CMAUP database
5-Geranyloxy-7-methoxycoumarin	6441377	Click to see CC(=CCCC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C)C	328.40	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
Anisocoumarin H	14376449	Click to see CC(=CC(CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)O)C	314.40	unknown	via CMAUP database
Bergamottin	5471349	Click to see CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C	338.40	unknown	https://doi.org/10.1248/CPB.41.926
Karatavicinol	44386968	Click to see CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)CCC(C(C)(C)O)O	400.50	unknown	via CMAUP database
Notopterol	5320227	Click to see CC(=CC(CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)O)C	354.40	unknown	https://doi.org/10.1248/CPB.31.2712 https://doi.org/10.1055/S-2006-957653 https://doi.org/10.1248/CPB.41.926
Ostruthin	5281420	Click to see CC(=CCCC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C)C	298.40	unknown	https://doi.org/10.1271/BBB.63.1501
> Lipids and lipid-like molecules / Sphingolipids / Ceramides / Phytoceramides
Gynuramide II	76312320	Click to see CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCC=CCCCCCCCCC)O)O)O	682.10	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]pyrimidine-2,4-dione	49769955	Click to see CCC1=C(N(C(=O)NC1=O)COCC2=CC=C(C=C2)C#CC3(CCC4C3(CCC5C4CCC6=CC(=O)CCC56)CC)O)CC7=CC(=CC(=C7)C)C	688.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
1-[(3R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone	53477678	Click to see CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	316.50	unknown	via CMAUP database
Pregnenolone	8955	Click to see CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	316.50	unknown	https://doi.org/10.1248/CPB.41.926
> 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
(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-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/10.1248/CPB.41.926
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	https://doi.org/10.1248/CPB.41.926
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
2-Azaniumylhexanoate	517543	Click to see CCCCC(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
D-Aspartic acid	83887	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://doi.org/10.1248/CPB.41.926
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
Leucine	6106	Click to see CC(C)CC(C(=O)O)N	131.17	unknown	https://doi.org/10.1248/CPB.41.926
> 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
Gamma-Aminobutyric Acid	119	Click to see C(CC(=O)O)CN	103.12	unknown	https://doi.org/10.1248/CPB.41.926
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Alpha,beta-unsaturated carboxylic esters / Enoate esters
Glycidyl methacrylate	7837	Click to see CC(=C)C(=O)OCC1CO1	142.15	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
Hexylidyneoxidanium	53628050	Click to see [CH2-]CCCCC#[O+]	98.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
4-Isopropylcyclohexanol	20739	Click to see CC(C)C1CCC(CC1)O	142.24	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / C-glycosyl compounds
methyl beta-D-fructofuranoside	128889	Click to see COC1(C(C(C(O1)CO)O)O)CO	194.18	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
alpha-D-Glucopyranoside, beta-D-fructofuranosyl	91692850	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
D-Alt(a1-2a)L-Psif	53301851	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
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
Sucrose NF	46782954	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
Bergaptol-O-glucopyranoside	125494	Click to see C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)OC4C(C(C(C(O4)CO)O)O)O	364.30	unknown	via CMAUP database
Suffruticoside A	9986231	Click to see CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O	612.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
alpha-L-Rhamnose	439710	Click to see CC1C(C(C(C(O1)O)O)O)O	164.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
Mannitol	6251	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(111C)octanal	451254	Click to see CCCCCCCC=O	127.21	unknown	via CMAUP database
(Z)-2-Decenal	5354834	Click to see CCCCCCCC=CC=O	154.25	unknown	via CMAUP database
(Z)-Non-2-enal	5354833	Click to see CCCCCCC=CC=O	140.22	unknown	via CMAUP database
2-Decenal	5283345	Click to see CCCCCCCC=CC=O	154.25	unknown	via CMAUP database
2-Hepten-1-al	17167	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2-Heptenal	5283316	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2-Heptenal, (Z)-	5362616	Click to see CCCCC=CC=O	112.17	unknown	via CMAUP database
2-Nonenal	5283335	Click to see CCCCCCC=CC=O	140.22	unknown	via CMAUP database
2,4-Decadienal	5283349	Click to see CCCCCC=CC=CC=O	152.23	unknown	via CMAUP database
Heptanal	8130	Click to see CCCCCCC=O	114.19	unknown	via CMAUP database
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	via CMAUP database
Octanal	454	Click to see CCCCCCCC=O	128.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
3-Methyl-2-butenal	61020	Click to see CC(=CC=O)C	84.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Dodecanone	22556	Click to see CCCCCCCCCCC(=O)C	184.32	unknown	via CMAUP database
2-Nonanone	13187	Click to see CCCCCCCC(=O)C	142.24	unknown	via CMAUP database
4-Acetyl-1-methylcyclohexene	93019	Click to see CC1=CCC(CC1)C(=O)C	138.21	unknown	via CMAUP database
Mdm9ypx7TE	11344055	Click to see CC1=CCC(CC1)C(=O)C	138.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Beta-hydroxy ketones
Diacetone Alcohol	31256	Click to see CC(=O)CC(C)(C)O	116.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
4'-Methylacetophenone	8500	Click to see CC1=CC=C(C=C1)C(=O)C	134.17	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzodioxoles
Apiole	10659	Click to see COC1=C2C(=C(C(=C1)CC=C)OC)OCO2	222.24	unknown	via CMAUP database
Myristicin	4276	Click to see COC1=CC(=CC2=C1OCO2)CC=C	192.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Ethylfuran	18554	Click to see CCC1=CC=CO1	96.13	unknown	via CMAUP database
2-Heptylfuran	19603	Click to see CCCCCCCC1=CC=CO1	166.26	unknown	via CMAUP database
2-Pentylfuran	19602	Click to see CCCCCC1=CC=CO1	138.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Carbazoles
16,17-Dimethoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione	12314413	Click to see CN1CCC23C4C5C(CC2=O)C(=CCOC5CC(=O)N4C6=CC(=C(C=C36)OC)OC)C1	424.50	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 / Oxepanes
1,4-Ethano-1H-cyclopent[c]oxepin-8a(3H)-ol, hexahydro-1,3,3,6-tetramethyl-, (1S,4R,5aS,6S,8aS)-	91704727	Click to see CC1CCC2(C1CC3CCC2(OC3(C)C)C)O	238.37	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
Coumalic acid	68141	Click to see C1=CC(=O)OC=C1C(=O)O	140.09	unknown	via CMAUP database
> Organoheterocyclic compounds / Quinolines and derivatives / Quinoline carboxylic acids
Kynurenic acid	3845	Click to see C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O	189.17	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid esters
Isopropyl cinnamate	5273464	Click to see CC(C)OC(=O)C=CC1=CC=CC=C1	190.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
(Z)-p-Methoxycinnamic acid	1550936	Click to see COC1=CC=C(C=C1)C=CC(=O)O	178.18	unknown	via CMAUP database
4-Methoxycinnamic acid	13245	Click to see COC1=CC=C(C=C1)C=CC(=O)O	178.18	unknown	via CMAUP database
trans-4-Methoxycinnamic acid	699414	Click to see COC1=CC=C(C=C1)C=CC(=O)O	178.18	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(-)-Bontlferulate	11724190	Click to see CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC(=C(C=C3)O)OC)C)C	330.40	unknown	via CMAUP database
(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	5315483	Click to see CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC(=C(C=C3)O)OC)C)C	330.40	unknown	https://doi.org/10.1271/BBB.63.1501 https://doi.org/10.1055/S-2006-957653
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	25721351	Click to see CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC(=C(C=C3)O)OC)C)C	330.40	unknown	via CMAUP database
3,4,5-Trimethoxycinnamic acid	735755	Click to see COC1=CC(=CC(=C1OC)OC)C=CC(=O)O	238.24	unknown	via CMAUP database
Docosyl caffeate	5316952	Click to see CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O	488.70	unknown	via CMAUP database
Phenylethyl 3-methylcaffeate	5284444	Click to see COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O	298.30	unknown	https://doi.org/10.1055/S-2006-957653
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1248/CPB.38.2498 https://doi.org/10.1248/CPB.41.926
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives
7-Methoxy-5-prenyloxycoumarin	15108314	Click to see CC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C	260.28	unknown	via CMAUP database
Coumarin	323	Click to see C1=CC=C2C(=C1)C=CC(=O)O2	146.14	unknown	via CMAUP database
Coumarin 7	94381	Click to see CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3	333.40	unknown	via CMAUP database
Osthol	10228	Click to see CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C	244.28	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
7-hydroxy-6-methoxy-8-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one	7275751	Click to see COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O	370.31	unknown	via CMAUP database
8-O-beta-D-glucopyranosyl-5-hydroxypsoralen	21574258	Click to see C1=CC(=O)OC2=C(C3=C(C=CO3)C(=C21)O)OC4C(C(C(C(O4)CO)O)O)O	380.30	unknown	via CMAUP database
> 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/10.1248/CPB.41.926
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
Angenomalin	51520704	Click to see CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	228.24	unknown	via CMAUP database
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	via CMAUP database
Isobergapten	68082	Click to see COC1=C2C=CC(=O)OC2=C3C=COC3=C1	216.19	unknown	via CMAUP database
Pimpinellin	4825	Click to see COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC	246.21	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
(R)-(+)-Oxypeucedanin Hydrate	53319618	Click to see CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O.O	322.31	unknown	via CMAUP database
(R)-Pabulenol	511358	Click to see CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O	286.28	unknown	via CMAUP database
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
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one	483513	Click to see CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O	304.29	unknown	via CMAUP database
4-(3,7-Dimethylocta-2,5,7-trienoxy)furo[3,2-g]chromen-7-one	78385205	Click to see CC(=C)C=CCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	336.40	unknown	https://doi.org/10.1248/CPB.41.926
4-[(2E,5E)-7-(1-ethoxyethoxy)-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one	5320229	Click to see CCOC(C)OC(C)(C)C=CCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	426.50	unknown	via CMAUP database
4-[(3,3-Dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one	160544	Click to see CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C	286.28	unknown	via CMAUP database
4-[(E)-3-methyl-4-(3-prop-1-en-2-yloxiran-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one	5319014	Click to see CC(=C)C1C(O1)CC(=CCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C	352.40	unknown	via CMAUP database
5-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one	53316971	Click to see CC1(C(O1)COC2=CC(=O)OC3=C2C=C4C=COC4=C3)C	286.28	unknown	via CMAUP database
6'-O-trans-feruloylnodakenin	102060651	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)OC)O)O)O	584.60	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-2006-957653 https://doi.org/10.1248/CPB.41.926
Marmesin	334704	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	246.26	unknown	via CMAUP database
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	via CMAUP database
Notoptol	5320228	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CC=CC(C)(C)O	354.40	unknown	https://doi.org/10.1248/CPB.31.2712 https://doi.org/10.1248/CPB.41.926
Oxypeucedanin	928465	Click to see CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C	286.28	unknown	via CMAUP database
Oxypeucedanin hydrate	17536	Click to see CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O	304.29	unknown	via CMAUP database
Oxypseucedanin	33306	Click to see CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C	286.28	unknown	via CMAUP database
Pabulenol	3009225	Click to see CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O	286.28	unknown	via CMAUP database
Pangelin	44144315	Click to see CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O	286.28	unknown	via CMAUP database
Pentosalen	10212	Click to see CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	270.28	unknown	https://doi.org/10.1055/S-2006-957653
Smyrindioloside	10836072	Click to see CC(C)(C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O	424.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-hydroxypsoralens
Alloisoimperatorin	5317436	Click to see CC(=CCC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2)C	270.28	unknown	via CMAUP database
Bergaptol	5280371	Click to see C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O	202.16	unknown	https://doi.org/10.1248/CPB.31.2712 https://doi.org/10.1248/CPB.41.926
Demethylfuropinnarin	5316520	Click to see CC(C)(C=C)C1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2	270.28	unknown	https://doi.org/10.1248/CPB.41.926
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
Bergapten	2355	Click to see COC1=C2C=CC(=O)OC2=CC3=C1C=CO3	216.19	unknown	https://doi.org/10.1248/CPB.38.2498 https://doi.org/10.1248/CPB.41.926
Phellopterin	98608	Click to see CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C	300.30	unknown	via CMAUP database
Psoralen, 8-geranyl-5-methoxy-	6442182	Click to see CC(=CCCC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C)C	368.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-hydroxypsoralens
Xanthotoxol	65090	Click to see C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O	202.16	unknown	https://doi.org/10.1248/CPB.41.926
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
9-Methoxy-5-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one	53398727	Click to see CC(=CCOC1=CC(=O)OC2=C1C=C3C=COC3=C2OC)C	300.30	unknown	via CMAUP database
Cnidilin	821449	Click to see CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C	300.30	unknown	https://doi.org/10.1248/CPB.38.2498
Isopimpinellin	68079	Click to see COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC	246.21	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
Esculetin	5281416	Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)O	178.14	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Isofraxidin	5318565	Click to see COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O	222.19	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/10.1248/CPB.31.2712
Scopoletin	5280460	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O	192.17	unknown	via CMAUP database
Umbelliferone	5281426	Click to see C1=CC(=CC2=C1C=CC(=O)O2)O	162.14	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
Xanthoxyletin	66548	Click to see CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C	258.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	53384378	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	608.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
Batatifolin	5320181	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O	316.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
Diosmetin	5281612	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	300.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
cis-Pterostilbene	5320791	Click to see COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC	256.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
[(2S,3S,4S,5R,6S)-6-[(6,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate	6325650	Click to see CC1C(C(C(C(O1)OC2=C(C=C3C4=C2OC(=O)C5=CC(=C(C(=C54)OC3=O)OC)O)O)O)O)OC(=O)C	504.40	unknown	via CMAUP database

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Hansenia weberbaueriana

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