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Details Top

Internal ID UUID643ff0a39a633656363271
Scientific name Vitex trifolia subsp. litoralis
Authority Steenis
First published in Blumea 8: 516 (1957)

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Common names Top

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Language Common/alternative name
English beach vitex
English round-leaf vitex
English roundleaf chastetree
English vitex trifolia ssp. litoralis

Varieties (abbr. var.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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Distribution (via POWO/KEW) Top

No distribution data was extracted from POWO/KEW yet. We are constantly monitoring for new data.

Links to other databases Top

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Database ID/link to page
World Flora Online wfo-0000333507
KEW urn:lsid:ipni.org:names:77188351-1
NCBI Taxonomy 548853
GBIF 7845672
CMAUP NPO15454

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
Anti-inflammatory constituents from the fruits of Vitex rotundifolia. Lee C, Lee JW, Jin Q, Lee HJ, Lee SJ, Lee D, Lee MK, Lee CK, Hong JT, Lee MK, Hwang BY Bioorg Med Chem Lett 01-Nov-2013
doi:10.1016/J.BMCL.2013.08.004
PMID:24035341
Validated high performance thin layer chromatographic method for simultaneous quantification of major iridoids in Vitex trifolia and their antioxidant studies. Tiwari N, Luqman S, Masood N, Gupta MM J Pharm Biomed Anal 05-Mar-2012
doi:10.1016/J.JPBA.2011.12.007
PMID:22226914
Two New Iridoids from Viticis trifoliae Fructus (Fruit of Vitex rotundiSolia L.). Masateru ONO, Yasyuki ITO, Satoko KUBO, Toshihiro NOHARA Pharmaceutical Society of Japan 08-Dec-2011
doi:10.1248/CPB.45.1094
Studies on the constituents of Vitex cannabifolia. HEIHACHIRO TAGUCHI Pharmaceutical Society of Japan 08-Dec-2011
doi:10.1248/CPB.24.1668
Casticin induces leukemic cell death through apoptosis and mitotic catastrophe. Shen JK, Du HP, Yang M, Wang YG, Jin J Ann Hematol 01-Aug-2009
doi:10.1007/S00277-008-0677-3
PMID:19139893
(—)-Viteralone from Vitex rotundifolia L. Haruhiko Tada, Fumio Yasuda The Japan Institute of Heterocyclic Chemistry 25-Feb-2009
doi:10.3987/R-1984-10-2203
Evaluation of the estrogenic activity of the constituents in the fruits of Vitex rotundifolia L. for the potential treatment of premenstrual syndrome. Hu Y, Hou TT, Zhang QY, Xin HL, Zheng HC, Rahman K, Qin LP J Pharm Pharmacol 01-Sep-2007
doi:10.1211/JPP.59.9.0016
PMID:17883902
Association between chemical and genetic variation of Vitex rotundifolia populations from different locations in China: its implication for quality control of medicinal plants. Hu Y, Zhang Q, Xin H, Qin LP, Lu BR, Rahman K, Zheng H Biomed Chromatogr 01-Sep-2007
doi:10.1002/BMC.841
PMID:17474140
CONSTITUENTS OF VITEX ROTUNDIFOLIA L. FIL. Yukihiro Asaka, Tadao Kamikawa, Takashi Kubota Oxford University Press (OUP) 25-Jul-2006
doi:10.1246/CL.1973.937
Antimutagenic Activity of (+)-Polyalthic Acid from Vitex rotundiforia Mitsuo Miyazawa, Hideo Shimamura, Sei-ichi Nakamura, Hiromu Kameoka American Chemical Society (ACS) 10-Mar-2005
doi:10.1021/JF00060A004
G2-M arrest and antimitotic activity mediated by casticin, a flavonoid isolated from Viticis Fructus (Vitex rotundifolia Linne fil.). Kobayakawa J, Sato-Nishimori F, Moriyasu M, Matsukawa Y Cancer Lett 10-May-2004
doi:10.1016/J.CANLET.2004.01.012
PMID:15105046
A labdane diterpene glycoside from fruit of Vitex rotundifolia Masateru Ono, Yasuyuki Ito, Toshihiro Nohara Elsevier BV 01-May-2003
doi:10.1016/S0031-9422(97)00863-7
Iridoid and phenolic glucoside from Vitex rotundifolia Isao Kouno, Masaaki Inoue, Yoshiko Onizuka, Tamayo Fujisaki, Nobusuke Kawano Elsevier BV 25-Jul-2002
doi:10.1016/0031-9422(88)83153-4
Aryl naphthalenes norlignans from Vitex rotundifolia Kazuyoshi Kawazoe, Aki Yutani, Yoshihisa Takaishi Elsevier BV 25-Jul-2002
doi:10.1016/S0031-9422(99)00405-7
Effects of luteolin on the inhibition of proliferation and induction of apoptosis in human myeloid leukaemia cells. Ko WG, Kang TH, Lee SJ, Kim YC, Lee BH Phytother Res 01-May-2002
doi:10.1002/PTR.871
PMID:12164283

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid 72 Click to see C1=CC(=C(C=C1C(=O)O)O)O 154.12 unknown via CMAUP database
4-Hydroxybenzoic acid 135 Click to see C1=CC(=CC=C1C(=O)O)O 138.12 unknown https://doi.org/10.1248/CPB.34.4829
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Methyl vanillate 19844 Click to see COC1=C(C=CC(=C1)C(=O)OC)O 182.17 unknown via CMAUP database
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown https://doi.org/10.1248/CPB.34.4829
https://doi.org/10.1016/S0944-7113(11)80033-4
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Methylparaben 7456 Click to see COC(=O)C1=CC=C(C=C1)O 152.15 unknown via CMAUP database
> Benzenoids / Fluorenes
(7R)-2,7-dihydroxy-1,9,10-trimethoxy-7H-benzo[c]fluorene-6-carbaldehyde 154497680 Click to see COC1=C(C=C2C(=C1)C(C3=C(C=C4C=CC(=C(C4=C23)OC)O)C=O)O)OC 366.40 unknown https://doi.org/10.1021/NP000307B
(7S)-2,7-dihydroxy-1,9,10-trimethoxy-7H-benzo[c]fluorene-6-carbaldehyde 162849506 Click to see COC1=C(C=C2C(=C1)C(C3=C(C=C4C=CC(=C(C4=C23)OC)O)C=O)O)OC 366.40 unknown https://doi.org/10.1016/S0031-9422(99)00405-7
vitrofolal C 10361525 Click to see COC1=C(C=C2C(=C1)C(C3=C(C=C4C=CC(=C(C4=C23)OC)O)C=O)O)OC 366.40 unknown https://doi.org/10.1021/NP000307B
https://doi.org/10.1016/S0031-9422(99)00405-7
vitrofolal D 10384147 Click to see COC1=C(C=C2C(=C1)C3=C4C(=CC(=C3C2=O)C=O)C=CC(=C4OC)O)OC 364.30 unknown https://doi.org/10.1021/NP000307B
> Benzenoids / Naphthalenes / Naphthols and derivatives
vitrofolal A 21592421 Click to see COC1=C(C=C(C=C1)C2=C3C(=CC(=C2)C=O)C=CC(=C3OC)O)OC 338.40 unknown https://doi.org/10.1021/NP000307B
https://doi.org/10.1016/S0031-9422(99)00405-7
vitrofolal B 44584755 Click to see COC1=C(C=C(C=C1)C2=C3C(=CC(=C2O)C=O)C=CC(=C3OC)O)OC 354.40 unknown https://doi.org/10.1021/NP000307B
https://doi.org/10.1016/S0031-9422(99)00405-7
Vitrofolal E 10947295 Click to see COC1=C(C=CC(=C1)C2=CC(=CC3=CC(=C(C=C32)O)OC)C=O)O 324.30 unknown https://doi.org/10.1021/NP000307B
Vitrofolal F 11013229 Click to see COC1=CC2=CC(=C(C(=C2C=C1O)C3=CC(=C(C=C3)O)OC)O)C=O 340.30 unknown https://doi.org/10.1021/NP000307B
> Benzenoids / Phenols / Methoxyphenols
2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (Z)- 5352904 Click to see COC1=C(C=CC(=C1)C=CC=O)O 178.18 unknown via CMAUP database
2,3,6-Trideuterio-4-hydroxy-5-methoxybenzaldehyde 11389509 Click to see COC1=C(C=CC(=C1)C=O)O 155.17 unknown via CMAUP database
Guaiacylglycerol 14579 Click to see COC1=C(C=CC(=C1)C(C(CO)O)O)O 214.21 unknown https://doi.org/10.1248/CPB.46.655
threo-Guaiacylglycerol 11063784 Click to see COC1=C(C=CC(=C1)C(C(CO)O)O)O 214.21 unknown https://doi.org/10.1248/CPB.46.655
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Dotriacontane 11008 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 450.90 unknown via CMAUP database
Hentriacontane 12410 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 436.80 unknown via CMAUP database
> Lignans, neolignans and related compounds / Arylnaphthalene lignans
4-(3,4-Dimethoxyphenyl)-5-methoxy-6-hydroxynaphtho[2,3-c]furan-1(3H)-one 11079065 Click to see COC1=C(C=C(C=C1)C2=C3C(=CC4=C2COC4=O)C=CC(=C3OC)O)OC 366.40 unknown https://doi.org/10.1021/NP000307B
4-(3,4-dimethoxyphenyl)-6-hydroxy-7-methoxynaphtho[2,3-c]furan-1(3H)-one 11100627 Click to see COC1=C(C=C(C=C1)C2=C3C=C(C(=CC3=CC4=C2COC4=O)OC)O)OC 366.40 unknown https://doi.org/10.1021/NP000307B
Detetrahydroconidendrin 10617963 Click to see COC1=CC2=CC3=C(COC3=O)C(=C2C=C1O)C4=CC(=C(C=C4)O)OC 352.30 unknown https://doi.org/10.1021/NP000307B
> Lignans, neolignans and related compounds / Dibenzylbutane lignans / Dibenzylbutanediol lignans
Secoisolariciresinol 65373 Click to see COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O 362.40 unknown https://doi.org/10.1021/NP000307B
> Lignans, neolignans and related compounds / Furanoid lignans
2-[4-[(3R,6R)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol 73349492 Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC(CO)C(C5=CC(=C(C=C5)O)OC)O)OC 584.60 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
Lariciresinol 332427 Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O 360.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
9-Eicosenoic acid 5460988 Click to see CCCCCCCCCCC=CCCCCCCCC(=O)O 310.50 unknown via CMAUP database
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown via CMAUP database
Palmitolinoleic acid 4668 Click to see CCCCCCC=CCCCCCCCC(=O)O 254.41 unknown via CMAUP database
Stearic Acid 5281 Click to see CCCCCCCCCCCCCCCCCC(=O)O 284.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Behenic Acid 8215 Click to see CCCCCCCCCCCCCCCCCCCCCC(=O)O 340.60 unknown via CMAUP database
Cetoleic Acid 5282771 Click to see CCCCCCCCCCC=CCCCCCCCCCC(=O)O 338.60 unknown via CMAUP database
Nervonic Acid 5281120 Click to see CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O 366.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoalkylglycerols
1-O-(9Z-octadecenyl)-sn-glycerol 53242580 Click to see CCCCCCCCC=CCCCCCCCCOCC(CO)O 342.60 unknown via CMAUP database
1-O-Octadecyl-sn-glycerol 10860876 Click to see CCCCCCCCCCCCCCCCCCOCC(CO)O 344.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(13S)-vitexifolin A 636732 Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C 290.50 unknown https://doi.org/10.1021/NP0105331
(1R,2R,2''R,4R,4aS,5'S,5''R,8aS)-4-Acetoxy-3,4,4a,5,6,7,8,8a-octahydro-2'',5''-dimethoxy-2,5,5,8a-tetramethyldispiro[naphthalene-1(2H),2'-oxolane-5',4''-oxolane] 11796606 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C)OC(=O)C 424.60 unknown via CMAUP database
(2R,4aS,10aR)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol 11033408 Click to see CC(C)C1=CC2=C(C=C1)C3(CCC(C(=C)C3CC2)(C)O)C 284.40 unknown https://doi.org/10.1021/NP0105331
(2S,4aR,10aS)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol 162987350 Click to see CC(C)C1=CC2=C(C=C1)C3(CCC(C(=C)C3CC2)(C)O)C 284.40 unknown https://doi.org/10.1021/NP0105331
(3R)-5-[(1R,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol 101696494 Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C 290.50 unknown https://doi.org/10.1021/NP0105331
(5R,8S,9S,10R,13R,15R,16S)-9,13:15,16-Diepoxy-15,16-dimethoxylabdane 101077831 Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C 366.50 unknown https://doi.org/10.1248/CPB.49.82
1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene- 238792 Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C 290.50 unknown https://doi.org/10.1021/NP0105331
13R-vitexifolin A 90657688 Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C 290.50 unknown https://doi.org/10.1021/NP0105331
2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol 85374231 Click to see CC(C)C1=CC2=C(C=C1)C3(CCC(C(=C)C3CC2)(C)O)C 284.40 unknown https://doi.org/10.1021/NP0105331
CID 100992389 100992389 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C)OC(=O)C 424.60 unknown https://doi.org/10.1021/NP0105331
CID 101077828 101077828 Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C 366.50 unknown https://doi.org/10.1248/CPB.49.82
CID 162970470 162970470 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)OC(=O)C 362.50 unknown https://doi.org/10.1246/CL.1973.937
CID 162970471 162970471 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)OC(=O)C 362.50 unknown https://doi.org/10.1246/CL.1973.937
CID 163097292 163097292 Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C 366.50 unknown https://doi.org/10.1248/CPB.49.82
CID 73105256 73105256 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C)OC(=O)C 424.60 unknown https://doi.org/10.1021/NP0105331
CID 85216571 85216571 Click to see CC1CCC2C(CCCC2(C13CCC4(O3)CC(OC4OC)OC)C)(C)C 366.50 unknown https://doi.org/10.1248/CPB.49.82
Ferruginol 442027 Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O 286.50 unknown https://doi.org/10.1021/NP990204X
Isolophanthin A 53496760 Click to see CC1(C2CCC3=C(C2(CCC1O)C)C=CC(=C3)C(C)(C)O)C 302.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Prerotundifuran 102090429 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)OC(=O)C 362.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
(1R,2R,4aR,5S,6S,8aS)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol 162954428 Click to see CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC(C2(C)O)O)C 324.50 unknown https://doi.org/10.1021/NP0105331
(4aR,7R,8R)-8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one 73357084 Click to see CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C 304.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
(5beta,9R,10alpha)-15,16-Epoxylabda-8(17),13(16),14-trien-19-oic acid 10245240 Click to see CC12CCCC(C1CCC(=C)C2CCC3=COC=C3)(C)C(=O)O 316.40 unknown https://doi.org/10.1021/JF00060A004
[(1R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 5321001 Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C 362.50 unknown https://doi.org/10.1002/BMC.841
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1002/PTR.871
1-[2-(3-Furyl)ethyl]decahydro-2alpha,5,5,8abeta-tetramethylnaphthalene-1alpha,4beta-diol 4-acetate 18008144 Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C 362.50 unknown https://doi.org/10.1248/CPB.24.1668
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1246/CL.1973.937
5-(3-hydroxy-3-methylpent-4-enyl)-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol 73190609 Click to see CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC(C2(C)O)O)C 324.50 unknown https://doi.org/10.1021/NP0105331
Rotundifuran 9841926 Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C 362.50 unknown https://doi.org/10.1248/CPB.24.1668
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1002/PTR.743
https://doi.org/10.1002/PTR.871
https://doi.org/10.1246/CL.1973.937
Viterifolin D 102484307 Click to see CC1C(C(C2C(CCCC2(C1(C)CCC(C)(C=C)O)C)(C)C)OC(=O)C)OC(=O)C 422.60 unknown via CMAUP database
Vitetrifolin B 15543011 Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C 362.50 unknown via CMAUP database
Vitexifolin B 101181864 Click to see CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC(C2(C)O)O)C 324.50 unknown https://doi.org/10.1021/NP0105331
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-Camphene 440966 Click to see CC1(C2CCC(C2)C1=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
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
(4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-(hydroxymethyl)cyclopentene-1-carboxylic acid 10750613 Click to see C1C(C(C(=C1CO)C(=O)O)CCO)O 202.20 unknown https://doi.org/10.1248/CPB.45.1094
(5R)-2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde 11105549 Click to see CC1=C(C(CC1)CC=O)C=O 152.19 unknown https://doi.org/10.1271/BBB.59.1979
2-(2-Hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol 53462571 Click to see C1C(C(C(=C1CO)CO)CCO)O 188.22 unknown https://doi.org/10.1248/CPB.45.1094
4-Hydroxy-5-(2-hydroxyethyl)-2-(hydroxymethyl)cyclopentene-1-carboxylic acid 85255658 Click to see C1C(C(C(=C1CO)C(=O)O)CCO)O 202.20 unknown https://doi.org/10.1248/CPB.45.1094
Eucommiol 154373 Click to see C1C(C(C(=C1CO)CO)CCO)O 188.22 unknown https://doi.org/10.1248/CPB.45.1094
Rotundial 10964699 Click to see CC1=C(C(CC1)CC=O)C=O 152.19 unknown https://doi.org/10.1271/BBB.59.1979
> Lipids and lipid-like molecules / Prenol lipids / Retinoids
(3S,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trien-1-ol 16750109 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(C)CCO)C 288.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
4,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol 5315645 Click to see CC(=CCCC1(C2CCC1(C(C2)O)C)C)C 222.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(5R)-4,5-dimethyl-8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-3-carbaldehyde 124356043 Click to see CC1CCC(=O)C2=CC3=C(C(=C12)C)C(=CO3)C=O 242.27 unknown https://doi.org/10.3987/R-1984-10-2203
(S)-Viteralone 92030371 Click to see CC1CCC(=O)C2=CC3=C(C(=C12)C)C(=CO3)C=O 242.27 unknown https://doi.org/10.3987/R-1984-10-2203
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
(+)-Taraxerol 42608290 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C 426.70 unknown via CMAUP database
Taraxerol 92097 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C 426.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
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
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides
[(1R,3R,4R,4aS,7S,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 10769138 Click to see CC1CC(C2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)OC4C(C(C(C(O4)CO)O)O)O)(C)C)OC(=O)C 556.60 unknown https://doi.org/10.1016/S0031-9422(97)00863-7
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
(1S,4aS,7S,7aS)-1-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 16655052 Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O 496.50 unknown https://doi.org/10.1016/J.JPBA.2011.12.007
(3R,4S,5S,6R)-2-[[5-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 45358109 Click to see C1C(C2C(C1O)C=COC2OC3C(C(C(C(O3)CO)O)O)O)CO 348.34 unknown via CMAUP database
[(1R,4aS,5R,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate 51346123 Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown via CMAUP database
[(1S,4aS,5R,7aR)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate 17750979 Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown via CMAUP database
[(1S,5S)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate 92131257 Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown via CMAUP database
[4a,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate 162916671 Click to see C1=CC(=CC=C1C=CC(=O)OCC2=CC(C3(C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O)O 508.50 unknown https://doi.org/10.1016/0031-9422(88)83153-4
[5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate 3512643 Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown https://doi.org/10.1248/CPB.46.655
1-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 102032626 Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O 496.50 unknown via CMAUP database
Agnuside 442416 Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown https://doi.org/10.1002/BMC.841
https://doi.org/10.1248/CPB.46.655
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1248/CPB.45.1094
Negundoside 9935561 Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O 496.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
Isoiridomyrmecin 120743 Click to see CC1CCC2C1COC(=O)C2C 168.23 unknown https://doi.org/10.1248/CPB.45.1094
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
(5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone 10022565 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
[(1R,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 101077821 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.49.82
[(1S,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 101077825 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.49.82
[(1S,3S,4S,4aR,8aR)-4-hydroxy-4-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 163027005 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(OC3=O)OC)O)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
[(2S,4aS,5R,6R,8aS)-5-hydroxy-1,1,4a,6-tetramethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate 72375238 Click to see CC1CCC2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)OC(=O)C)(C)C 378.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
[4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 20598215 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1021/NP0105331
https://doi.org/10.1248/CPB.34.4829
[4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 85095220 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.49.82
[4-hydroxy-4-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate 85259695 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(OC3=O)OC)O)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
4-[2-[(1R,2R,4aS,6S,8aS)-1,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one 51040815 Click to see CC1CCC2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)O)(C)C 336.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
4-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl]-2H-furan-5-one 71492248 Click to see CC1CCC2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C 320.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
CID 101077823 101077823 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 101077824 101077824 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 101357919 101357919 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.34.4829
CID 162919964 162919964 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 162919965 162919965 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 73817522 73817522 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.34.4829
CID 75604483 75604483 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
CID 85208587 85208587 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C 408.50 unknown https://doi.org/10.1248/CPB.49.82
Previtexilactone 21636179 Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1248/CPB.34.4829
Viteagnusin I 73349491 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3O)O)C)(C)C)OC(=O)C 394.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitexilactone 21636178 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C 378.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
https://doi.org/10.1021/NP0105331
https://doi.org/10.1248/CPB.34.4829
https://doi.org/10.1248/CPB.49.82
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 45358157 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 11897956 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O 456.70 unknown via CMAUP database
(1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 45483617 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde 317607 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O 440.70 unknown via CMAUP database
Betulinic Acid 64971 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O 456.70 unknown via CMAUP database
Super Squalene; trans-Squalene;AddaVax 1105 Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C 410.70 unknown via CMAUP database
Ursolic Acid 64945 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
Sitogluside 5742590 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
[(1S,2R,3S,4R)-1-acetyloxy-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate 38363004 Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C 406.60 unknown https://doi.org/10.1021/NP0105331
[1-Acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate 23757094 Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C 406.60 unknown https://doi.org/10.1021/NP0105331
Vitetrifolin D 11015016 Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C 406.60 unknown https://doi.org/10.1021/NP0105331
https://doi.org/10.1016/J.BMCL.2013.08.004
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
(1S,2R,3S,4R)-4-(3-hydroxy-3-methylpent-4-enyl)-1-methoxy-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-ol 72375122 Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC)O 336.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitetrifolin E 11143042 Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)O 364.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitetrifolin F 11222285 Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)O)OC(=O)C 364.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitetrifolin G 10892069 Click to see CC1C(C=C2C(=CCCC2(C)C)C1(C)CCC(C)(C=C)O)O 304.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
[(1S,4aR,5S,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxybenzoate 16727712 Click to see C1=COC(C2C1C(C(=C2)COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown https://doi.org/10.1248/CPB.45.1094
[5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxybenzoate 73312757 Click to see C1=COC(C2C1C(C(=C2)COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O 466.40 unknown https://doi.org/10.1248/CPB.45.1094
Vitcagnusin F 44475041 Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C 426.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Vitcagnusin G 44475044 Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C 426.50 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate 101945298 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O 504.50 unknown https://doi.org/10.1248/CPB.46.655
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-3-yl] 4-hydroxybenzoate 10695350 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O 462.40 unknown https://doi.org/10.1248/CPB.46.655
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-3-yl] 4-hydroxybenzoate 85235549 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O 462.40 unknown https://doi.org/10.1248/CPB.46.655
4-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one 14020144 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O 342.34 unknown https://doi.org/10.1016/0031-9422(88)83153-4
4-[3-Hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one 14020143 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O 342.34 unknown https://doi.org/10.1016/0031-9422(88)83153-4
Vitexfolin A 10458788 Click to see CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O 504.50 unknown https://doi.org/10.1248/CPB.46.655
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde 126 Click to see C1=CC(=CC=C1C=O)O 122.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
4'-Hydroxyacetophenone 7469 Click to see CC(=O)C1=CC=C(C=C1)O 136.15 unknown via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
(4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one 10702623 Click to see C1C(C(C2=C1COC2=O)CCO)O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
5-Hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one 85238792 Click to see C1C(C(C2=C1COC2=O)CCO)O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
> Organoheterocyclic compounds / Lactones / Delta valerolactones
(3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl) acetate 73819182 Click to see CC1CC(C2C(CCCC2(C13CCCC(=O)O3)C)(C)C)OC(=O)C 336.50 unknown https://doi.org/10.1021/NP0105331
(4aR,5R)-5-hydroxy-7-(hydroxymethyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one 10607533 Click to see C1COC(=O)C2=C(CC(C21)O)CO 184.19 unknown https://doi.org/10.1248/CPB.45.1094
[(1S,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] acetate 162874968 Click to see CC1CC(C2C(CCCC2(C13CCCC(=O)O3)C)(C)C)OC(=O)C 336.50 unknown https://doi.org/10.1021/NP0105331
5-hydroxy-7-(hydroxymethyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one 85204058 Click to see C1COC(=O)C2=C(CC(C21)O)CO 184.19 unknown https://doi.org/10.1248/CPB.45.1094
Kiglikynkwylit-yjlwdspxsa- 21668660 Click to see CC1CC(C2C(CCCC2(C13CCCC(=O)O3)C)(C)C)OC(=O)C 336.50 unknown https://doi.org/10.1021/NP0105331
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl) acetate 73122009 Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C 322.40 unknown https://doi.org/10.1021/NP0105331
(3aR,4S,6aR)-4,5-bis(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one 10888602 Click to see C1C2C(C=C(C2CO)CO)OC1=O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
[(1R,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] acetate 163186598 Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C 322.40 unknown https://doi.org/10.1021/NP0105331
[(1S,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] acetate 163043414 Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C 322.40 unknown https://doi.org/10.1021/NP0105331
4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one 15559823 Click to see CC1CCC2C(CCCC2(C13CCC(=O)O3)C)(C)C 264.40 unknown https://doi.org/10.1021/NP0105331
4,5-Bis(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one 85303656 Click to see C1C2C(C=C(C2CO)CO)OC1=O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
Hxilytqmwoycat-uifitflssa- 11834250 Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C 322.40 unknown https://doi.org/10.1021/NP0105331
Isoambreinolide 15559824 Click to see CC1CCC2C(CCCC2(C13CCC(=O)O3)C)(C)C 264.40 unknown https://doi.org/10.1021/NP0105331
Trisnor-gamma-lactone 21668661 Click to see CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C 322.40 unknown via CMAUP database
Vitedoin B 11771639 Click to see CC1CCC2C(C(CCC2(C13CCC(=O)O3)C)OC(=O)C)(C)C 322.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Organoheterocyclic compounds / Oxanes
(4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-3-one 131108302 Click to see C1C2C(C=C(C2OCC1=O)CO)O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
5-Hydroxy-7-(hydroxymethyl)-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-3-one 130151041 Click to see C1C2C(C=C(C2OCC1=O)CO)O 184.19 unknown https://doi.org/10.1248/CPB.45.1094
> Organoheterocyclic compounds / Pyrrolines
Vitexilactam A 21609581 Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCNC3=O)O)C)(C)C)OC(=O)C 377.50 unknown via CMAUP database
> Organoheterocyclic compounds / Tetrahydrofurans
Vitex norditerpenoid 1 11208535 Click to see CC1CCC2C(CCCC2(C13CCC(=CC=O)O3)C)(C)C 290.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate 163188218 Click to see COC1=CC(=CC2=C1OC(C2COC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)OC)CCCO 642.60 unknown https://doi.org/10.1248/CPB.46.655
[4,5-Dihydroxy-2-[[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate 85184115 Click to see COC1=CC(=CC2=C1OC(C2COC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)OC)CCCO 642.60 unknown https://doi.org/10.1248/CPB.46.655
4-[(2S,3R)-5-(3,3-dimethoxyprop-1-enyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 162864938 Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC(OC)OC 402.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
4-[(2S,3R)-5-[(E)-3-hydroxy-3-methoxyprop-1-enyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 72375239 Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC(O)OC 388.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
4-[(2S,3R)-5-[(Z)-3,3-dimethoxyprop-1-enyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 72375240 Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC(OC)OC 402.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Dihydrodehydrodiconiferyl alcohol 384679 Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO 360.40 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
Ficusal 10496641 Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=O 330.30 unknown https://doi.org/10.1016/J.BMCL.2013.08.004
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 54691413 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)[O-] 193.18 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
Methyl 4-hydroxycinnamate 5319562 Click to see COC(=O)C=CC1=CC=C(C=C1)O 178.18 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) 25201972 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)[O-] 285.23 unknown via CMAUP database
5,7,2',5'-Tetrahydroxyflavone 5487756 Click to see C1=CC(=C(C=C1O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 286.24 unknown via CMAUP database
Luteolin 5280445 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1248/CPB.34.4829
https://doi.org/10.1016/S0944-7113(11)80033-4
https://doi.org/10.1002/PTR.871
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Izalpinin 5318691 Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=CC=C3)O 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 44257907 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O 448.40 unknown via CMAUP database
Vitexin-7-olate 49791957 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)[O-])C4C(C(C(C(O4)CO)O)O)O)O 431.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
7-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 85111821 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O 756.70 unknown https://doi.org/10.1016/0031-9422(88)83153-4
https://doi.org/10.1248/CPB.46.655
https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1248/CPB.45.1094
Luteolin 7-galactoside 5291488 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O 448.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
Oroxylin A 5320315 Click to see COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O 284.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
(2S)-3',5-Dihydroxy-4',6,7-trimethoxyflavanone 44566966 Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O 346.30 unknown https://doi.org/10.1021/NP0105331
5-Hydroxy-3',4',6,7-tetramethoxyflavone 152430 Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC 358.30 unknown via CMAUP database
5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone 13871373 Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O 346.30 unknown https://doi.org/10.1021/NP0105331
Artemetin 5320351 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC 388.40 unknown https://doi.org/10.1248/CPB.34.4829
https://doi.org/10.1021/NP0105331
https://doi.org/10.1002/PTR.871
https://doi.org/10.1016/S0278-6915(00)00079-X
Ayanin 5280682 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O 344.30 unknown via CMAUP database
Casticin 5315263 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O 374.30 unknown https://doi.org/10.1211/JPP.59.9.0016
https://doi.org/10.1016/J.BMCL.2013.08.004
https://doi.org/10.1007/S00277-008-0677-3
https://doi.org/10.1016/S0944-7113(11)80033-4
https://doi.org/10.1007/BF02976430
https://doi.org/10.1002/PTR.871
https://doi.org/10.1021/NP0105331
https://doi.org/10.1248/CPB.46.655
https://doi.org/10.1016/J.CANLET.2004.01.012
https://doi.org/10.1055/S-2006-957511
https://doi.org/10.1016/S0278-6915(00)00079-X
https://doi.org/10.1248/CPB.34.4829
chrysoplenol D 5280699 Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC 360.30 unknown https://doi.org/10.1016/S0278-6915(00)00079-X
Chrysosplenol C 189065 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)O 360.30 unknown https://doi.org/10.1002/PTR.871
Penduletin 5320462 Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC 344.30 unknown https://doi.org/10.1248/CPB.46.655
Persicogenin 320054 Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O 316.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
[(1S,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate 50990634 Click to see C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O 936.60 unknown via CMAUP database
[(1S,4aR,5S,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxy-3-methoxybenzoate 162887855 Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC3C(C2O)C=COC3OC4C(C(C(C(O4)CO)O)O)O)O 496.50 unknown https://doi.org/10.1248/CPB.45.1094
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate 10837248 Click to see COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O 450.40 unknown https://doi.org/10.1248/CPB.46.655
[4,5-Dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate 85284407 Click to see COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O 450.40 unknown https://doi.org/10.1248/CPB.46.655
[5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-6-yl]methyl 4-hydroxy-3-methoxybenzoate 162887854 Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC3C(C2O)C=COC3OC4C(C(C(C(O4)CO)O)O)O)O 496.50 unknown https://doi.org/10.1248/CPB.45.1094
10-O-Vanilloylaucubin 10529276 Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O 496.50 unknown https://doi.org/10.1248/CPB.46.655
10-Vanilloylaucubinz 85136115 Click to see COC1=C(C=CC(=C1)C(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O 496.50 unknown https://doi.org/10.1248/CPB.46.655

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