Berneuxia thibetica - Unknown
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Internal ID UUID64400cf6e9074644143118
Scientific name Berneuxia thibetica
Authority Decne.
First published in Bull. Soc. Bot. France 20: 159 (1873)

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Synonyms Top

Scientific name Authority First published in
Berneuxia yunnanensis H.L.Li Rhodora 45: 336 (1943)
Shortia thibetica (Decne.) Franch. Nouv. Arch. Mus. Hist. Nat. , sér. 2, 10: 54 (1887 publ. 1888)
Shortia davidii Franch. Nouv. Arch. Mus. Hist. Nat. , sér. 2, 10: t. 13, f. B (1887 publ. 1888)

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Language Common/alternative name
Spanish berneuxia
Portuguese berneuxia
Chinese 岩匙
Chinese 岩筋菜
Chinese 岩菠菜
Chinese 白奴花
Chinese 岩匙属
Chinese 岩匙屬

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Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Asia-tropical
    • Indian Subcontinent
      • East Himalaya
    • Indo-China
      • Myanmar

Links to other databases Top

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Database ID/link to page
World Flora Online wfo-0000564405
Tropicos 10500019
KEW urn:lsid:ipni.org:names:316108-1
The Plant List kew-2675048
Open Tree Of Life 45284
NCBI Taxonomy 171445
IPNI 316108-1
GBIF 4196355
EOL 2891068
USDA GRIN 416464
CMAUP NPO8306

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)!
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Title Authors Publication Released IDs
Antimutagenic, antitumor and estrogen receptor binding activity of the rare plant Shortia galacifolia: An ethnobotanical and chemosystematic approach Gray SL, Lackey BR, Tate PL Avicenna J Phytomed 01-Jan-2019
PMCID:PMC6369323
PMID:30788279
Triterpenoid saponins from Berneuxia thebetica Decne Ming-Kui Wang, Hong Cai, Shu-Lin Peng, Li-Sheng Ding, Feng-E Wu Elsevier 08-Sep-2007
doi:10.1016/S0928-3420(99)80023-8
Triterpenoid saponins from Berneuxia thebetica. Wang MK, Cai H, Peng SL, Ding LS, Wu FE, Chen YZ Phytochemistry 01-Aug-1998
doi:10.1016/S0031-9422(97)00850-9
PMID:9720318

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 / Methoxybenzenes / Dimethoxybenzenes
1,2-Dimethoxybenzene 7043 Click to see COC1=CC=CC=C1OC 138.16 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
(1S,4Z,8R)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene 18502770 Click to see CC1=CCC(=C)C2CC(C2CC1)(C)C 190.32 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
(4E,7E)-trideca-1,4,7-triene 5322027 Click to see CCCCCC=CCC=CCC=C 178.31 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Nonene 31285 Click to see CCCCCCCC=C 126.24 unknown via CMAUP database
1-Undecene 13190 Click to see CCCCCCCCCC=C 154.29 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
2,3-Dimethylacrylic acid, (Z)- 643915 Click to see CC=C(C)C(=O)O 100.12 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(3R)-1-Nonen-3-ol 6994068 Click to see CCCCCCC(C=C)O 142.24 unknown via CMAUP database
cis-3-Hexen-1-ol 5281167 Click to see CCC=CCCO 100.16 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
6-Hydroxy-1,1,4A-trimethyl-7-(propan-2-YL)-1,2,3,4,4A,9,10,10A-octahydrophenanthren-9-one 275529 Click to see CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O 300.40 unknown https://doi.org/10.1016/S0928-3420(99)80023-8
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Linalool, (-)- 443158 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
> 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
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-3-Carene 442461 Click to see CC1=CCC2C(C1)C2(C)C 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(R)-beta-bisabolene 68128 Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C 204.35 unknown via CMAUP database
beta-Bisabolene 10104370 Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C 204.35 unknown via CMAUP database
Caryophyllene 5281515 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(-)-5-Epieremophilene 52319950 Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C 204.35 unknown via CMAUP database
(3S)-3-Isopropenyl-4abeta,5beta-dimethyl-6alpha-(2-methylcrotonoyloxy)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-one 12314124 Click to see CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C 316.40 unknown via CMAUP database
(4Ar,5R,6S,8aR)-3-acetyl-6-hydroxy-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one 10354107 Click to see CC1C(CCC2C1(C=C(C(=O)C2)C(=O)C)C)O 236.31 unknown via CMAUP database
(4S,4aR,6R,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone 101306823 Click to see CC1CCC(=O)C2C1(CC(CC2)C(=C)C)C 220.35 unknown via CMAUP database
(R)-2-(2-Oxo-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-3-yl)propanoic acid 122402090 Click to see CC1CCCC2C1(C=C(C(=O)C2)C(C)C(=O)O)C 250.33 unknown via CMAUP database
[(4S,4aS,5R,6S,8aR)-3,4a,5-trimethyl-6-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate 21602833 Click to see CC=C(C)C(=O)OC1C2=C(CC3C1(C(C(CC3)OC(=O)C=CSC)C)C)OC=C2C 432.60 unknown via CMAUP database
2beta-Hydrocyfukinone 102208390 Click to see CC1CC(CC2C1(CC(=C(C)C)C(=O)C2)C)O 236.35 unknown via CMAUP database
3-Acetyl-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one 10846585 Click to see CC1CCCC2C1(C=C(C(=O)C2)C(=O)C)C 220.31 unknown via CMAUP database
3beta-Angeloyloxy-6beta-hydroxyfuranoeremophilane 101596878 Click to see CC=C(C)C(=O)OC1CCC2CC3=C(C(C2(C1C)C)O)C(=CO3)C 332.40 unknown via CMAUP database
4,4a,5,6,7,8,8abeta,9-Octahydro-3,4abeta,5beta-trimethyl-4beta-methoxynaphtho[2,3-b]furan 5320501 Click to see CC1CCCC2C1(C(C3=C(C2)OC=C3C)OC)C 248.36 unknown via CMAUP database
Albopetasin 5317196 Click to see CC=C(C)C(=O)OC1C2=C(CC3C1(C(CCC3)C)C)OC=C2C 316.40 unknown via CMAUP database
Fukinone 5317414 Click to see CC1CCCC2C1(CC(=C(C)C)C(=O)C2)C 220.35 unknown via CMAUP database
Furanoeremophilane 101277374 Click to see CC1CCCC2C1(CC3=C(C2)OC=C3C)C 218.33 unknown via CMAUP database
Furanofukinol 21602832 Click to see CC1C(CCC2C1(C(C3=C(C2)OC=C3C)O)C)O 250.33 unknown via CMAUP database
Furanojaponin 5317429 Click to see CC=C(C)C(=O)OC1CC(C2(CC3=C(CC2C1)OC=C3C)C)C 316.40 unknown via CMAUP database
Isopetasin 5318627 Click to see CC=C(C)C(=O)OC1CCC2=CC(=O)C(=C(C)C)CC2(C1C)C 316.40 unknown via CMAUP database
Ligularol 383983 Click to see CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C 234.33 unknown via CMAUP database
Ligularone 10889785 Click to see CC1CCCC2C1(C(=O)C3=C(C2)OC=C3C)C 232.32 unknown via CMAUP database
methyl 2-[(4aR,7S,8R,8aR)-7-hydroxy-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl]prop-2-enoate 21602836 Click to see CC1C(CCC2C1(C=C(C(=O)C2)C(=C)C(=O)OC)C)O 278.34 unknown via CMAUP database
Neopetasin 6440434 Click to see CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C 316.40 unknown via CMAUP database
Petasin 5281526 Click to see CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C 316.40 unknown via CMAUP database
Petasitolone 5320506 Click to see CC1CCCC2C1(C=C(C(=O)C2)C(C)(C)O)C 236.35 unknown via CMAUP database
S-Japonin 101316797 Click to see CC1CC(CC2C1(CC(=C(C)C)C(=O)C2)C)OC(=O)C=CSC 336.50 unknown via CMAUP database
S-Neopetasin 91800184 Click to see CC1C(CCC2=CC(=O)C(CC12C)C(=C)C)OC(=O)C=CSC 334.50 unknown via CMAUP database
S-Petasin 16219858 Click to see CC1C(CCC2=CC(=O)C(CC12C)C(=C)C)OC(=O)C=CSC 334.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2R,3R,4R,5S,6S)-6-[[(3R,4aR,6aR,6bR,8R,8aR,9S,10S,12aR,14aR,14bR)-8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163046653 Click to see CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2R,3R,4R,5S,6S)-6-[[(3R,4aS,6aS,6bR,8R,8aR,12aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-oxo-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162846223 Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O 1119.20 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2R,3S,4R,5R,6R)-6-[[(3R,4aR,6aR,6bR,8S,8aR,9S,10R,12aR,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162883177 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162883178 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162883179 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 163046652 Click to see CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 101032524 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(C9O)O)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O)O 1137.30 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-oxo-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162846224 Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O 1119.20 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2S,4S)-6-[[(4aR,6bS,8R,14aR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-oxo-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 5315185 Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O 1119.20 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2S,4S)-6-[[(4aR,6bS,8R,9R,14aR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 5315171 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(2S,4S)-6-[[(4aR,6bS,8R,9R,14aR)-8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 5315178 Click to see CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
(4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one 102438571 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)OC4C(C(C(OC4OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)CO)O)O)CO)O)CO)O)O)O)O)O 1105.30 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl (E)-2-methylbut-2-enoate 102438570 Click to see CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C 1205.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (E)-2-methylbut-2-enoate 102438569 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C)CO)O 1205.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
4-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-oxo-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 78384579 Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O 1119.20 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
4-[3,5-Dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-[[8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(2-methylbut-2-enoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 78384578 Click to see CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
6-[[8,9-Dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 78384575 Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O 1219.40 unknown https://doi.org/10.1016/S0031-9422(97)00850-9
Mussaendoside R 101921682 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1(C)O)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O 797.00 unknown via CMAUP database
Niga-ichigoside F1 16118969 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O 666.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
(3R)-1',3',3'a,4,4',5,5',6',7',7'aalpha-Decahydro-3'abeta,4'beta-dimethyl-4-methylenespiro[furan-3(2H),2'-[2H]indene]-2-one 10868244 Click to see CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C 234.33 unknown via CMAUP database
(4aS,9aR)-4,4a,5,6,7,8,8abeta,9-Octahydro-3,4abeta,5beta-trimethyl-6beta-hydroxynaphtho[2,3-b]furan-2(9aH)-one 15226439 Click to see CC1C(CCC2C1(CC3=C(C(=O)OC3C2)C)C)O 250.33 unknown via CMAUP database
(4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate 10837859 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2CC3C1(C(C(CC3)OC(=O)C=CS(=O)C)C)C)C 464.60 unknown via CMAUP database
(4S)-4a,5,6,7,8,8abeta,9,9a-Octahydro-4beta-hydroxy-9aalpha-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one 101033349 Click to see CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)O)C 280.36 unknown via CMAUP database
(4S)-4a,5,6,7,8,8abeta,9,9a-Octahydro-4beta-hydroxy-9abeta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one 101033348 Click to see CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)O)C 280.36 unknown via CMAUP database
(4S)-6beta-Hydroxy-4beta-methoxy-3,4abeta,5beta-trimethyl-4a,5,6,7,8,8abeta,9,9aalpha-octahydronaphtho[2,3-b]furan-2(4H)-one 10107719 Click to see CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O 280.36 unknown via CMAUP database
(4S)-6beta-Hydroxy-4beta,9aalpha-dimethoxy-3,4abeta,5beta-trimethyl-4a,5,6,7,8,8abeta,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 10018278 Click to see CC1C(CCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)OC)C)O 310.40 unknown via CMAUP database
(Z)-2-Methyl-2-butenoic acid (S)-(3beta-hydroxy-1beta,2beta-dimethyl-6-oxocyclohexyl)[[(R)-2,5-dihydro-5-hydroxy-4-methyl-2-oxofuran]-3-yl]methyl ester 101993910 Click to see CC=C(C)C(=O)OC(C1=C(C(OC1=O)O)C)C2(C(C(CCC2=O)O)C)C 366.40 unknown via CMAUP database
(Z)-2-Methyl-2-butenoic acid (S)-[(1S,3S,4R,5R,6R)-3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]oct-5-yl][[(S)-2,5-dihydro-5-hydroxy-4-methyl-2-oxofuran]-3-yl]methyl ester 101995462 Click to see CC=C(C)C(=O)OC(C1=C(C(OC1=O)O)C)C2(C(C3CCC2C(O3)OC)C)C 394.50 unknown via CMAUP database
(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9alpha-dihydroxy-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester 10832600 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2C(C3C1(C(C(CC3)O)C)C)O)C 364.40 unknown via CMAUP database
(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9beta-dihydroxy-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester 10784989 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2C(C3C1(C(C(CC3)O)C)C)O)C 364.40 unknown via CMAUP database
(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9beta,9abeta-trihydroxy-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan]-4beta-yl ester 10523815 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2(C(C3C1(C(C(CC3)O)C)C)O)O)C 380.40 unknown via CMAUP database
[(4aS)-3,4abeta,5beta-Trimethyl-9abeta-hydroxy-4a,7,8,8abeta,9,9a-hexahydronaphtho[2,3-b]furan]-2,6(4H,5H)-dione 10683027 Click to see CC1C(=O)CCC2C1(CC3=C(C(=O)OC3(C2)O)C)C 264.32 unknown via CMAUP database
[(4R)-3,4abeta,5beta-Trimethyl-4alpha-methoxy-6beta-hydroxy-4a,5,6,7,8,8abeta,9,9aalpha-octahydronaphtho[2,3-b]furan]-2(4H)-one 10493014 Click to see CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O 280.36 unknown via CMAUP database
[(4S,4aS,5R,6S,8aR,9aR)-4,9a-dimethoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-3-methylsulfanylprop-2-enoate 15381664 Click to see CC1C(CCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)OC)C)OC(=O)C=CSC 410.50 unknown via CMAUP database
[(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate 101942890 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)O)C)C)OC)C 378.50 unknown via CMAUP database
[(4S,4aS,5R,6S,8aR,9aR)-9a-methoxy-3,4a,5-trimethyl-6-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate 101942891 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)OC(=O)C=CSC)C)C)OC)C 478.60 unknown via CMAUP database
[(4S,4aS,5R,6S,8aR,9aS)-6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate 101942892 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)O)C)C)OC)C 378.50 unknown via CMAUP database
[(4S,4aS,5R,6S,8aR,9aS)-9a-methoxy-3,4a,5-trimethyl-6-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate 101942893 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)OC(=O)C=CSC)C)C)OC)C 478.60 unknown via CMAUP database
[(4S)-3,4abeta,5beta-Trimethyl-4beta-methoxy-6beta-hydroxy-4a,5,6,7,8,8abeta,9,9abeta-octahydronaphtho[2,3-b]furan]-2(4H)-one 10516878 Click to see CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O 280.36 unknown via CMAUP database
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4,6-diyl ester, [4S-[4alpha(Z),4aalpha,5alpha,6alpha(Z),8aalpha,9abeta]]- 10455374 Click to see CC=C(C)C(=O)OC1CCC2CC3C(=C(C(=O)O3)C)C(C2(C1C)C)OC(=O)C(=CC)C 430.50 unknown via CMAUP database
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-6-hydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4alpha(E),4aalpha,5alpha,6alpha,8aalpha,9abeta]]- 10043345 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2CC3C1(C(C(CC3)O)C)C)C 348.40 unknown via CMAUP database
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-9a-hydroxy-3,4a,5-trimethyl-2,6-dioxonaphtho[2,3-b]furan-4-yl ester, [4S-[4alpha(Z),4aalpha,5alpha,8aalpha,9aalpha]]- 10428722 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(=O)CC3)C)C)O)C 362.40 unknown via CMAUP database
2-Methylisocrotonic acid [(4S)-6beta-hydroxy-3,4abeta,5beta-trimethyl-2-oxo-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester 10089111 Click to see CC=C(C)C(=O)OC1C2=C(C(=O)OC2CC3C1(C(C(CC3)O)C)C)C 348.40 unknown via CMAUP database
3,4abeta,5beta-Trimethyl-4beta-methoxy-6beta,9aalpha-dihydroxy-4a,5,6,7,8,8abeta,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 10780264 Click to see CC1C(CCC2C1(C(C3=C(C(=O)OC3(C2)O)C)OC)C)O 296.36 unknown via CMAUP database
3,4abeta,5beta-Trimethyl-7beta-hydroxy-4a,5,6,7,8,8abeta,9,9abeta-octahydronaphtho[2,3-b]furan-2(4H)-one 101999270 Click to see CC1CC(CC2C1(CC3=C(C(=O)OC3C2)C)C)O 250.33 unknown via CMAUP database
6beta-Hydroxyeremophilenolide 14866157 Click to see CC1CCCC2C1(C(C3=C(C(=O)OC3C2)C)O)C 250.33 unknown via CMAUP database
6beta,8beta-Dihydroxyeremophilenolide 181196 Click to see CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)O)C)O)C 266.33 unknown via CMAUP database
9-Acetoxyfukinanolide 5320805 Click to see CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C 292.40 unknown via CMAUP database
Bakkenolide A 442173 Click to see CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C 234.33 unknown via CMAUP database
Bakkenolide B 11165211 Click to see CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C 390.50 unknown via CMAUP database
BakkenolideIII 10849385 Click to see CC1CCC(C2C1(CC3(C2O)C(=C)COC3=O)C)O 266.33 unknown via CMAUP database
CID 12299954 12299954 Click to see CC1CCC(C2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C)OC(=O)C=CSC 408.50 unknown via CMAUP database
Dihydrofukinolide 101306810 Click to see CCC(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C 392.50 unknown via CMAUP database
Eremophilenolide 442210 Click to see CC1CCCC2C1(CC3=C(C(=O)OC3C2)C)C 234.33 unknown via CMAUP database
Fukinolide 101289733 Click to see CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C 390.50 unknown via CMAUP database
Homofukinolide 101297666 Click to see CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C(=CC)C)C)C 430.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
Bemeuxin 6454841 Click to see CC1(CC2C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)C)C)C 488.70 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
[(3R)-non-1-en-3-yl] acetate 92281382 Click to see CCCCCCC(C=C)OC(=O)C 184.27 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
3,4-Di-O-caffeoylquinic acid methyl ester 10392218 Click to see COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O 530.50 unknown via CMAUP database
4,5-Dicaffeoylquinic acid 5281780 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O 516.40 unknown via CMAUP database
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
(3aR,4S,7aR)-2-acetyl-3a,4-dimethyl-4,6,7,7a-tetrahydro-1H-inden-5-one 10512475 Click to see CC1C(=O)CCC2C1(C=C(C2)C(=O)C)C 206.28 unknown via CMAUP database
Eremopetasinorone A 10584415 Click to see CC1C(=O)CCC2C1(C=C(C2)C(=O)C)C 206.28 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
3,4,4aalpha,5,6,7,8,8a-Octahydro-8alpha,8aalpha-dimethyl-3-oxonaphthalene-2-carbaldehyde 10703491 Click to see CC1CCCC2C1(C=C(C(=O)C2)C=O)C 206.28 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
1-(2,6-Dihydroxy-4-methoxyphenyl)butan-1-one 597630 Click to see CCCC(=O)C1=C(C=C(C=C1O)OC)O 210.23 unknown via CMAUP database
Petasiphenone 16066851 Click to see C1=CC(=C(C=C1C=CC(=O)OCC(=O)C2=CC(=C(C=C2)O)O)O)O 330.29 unknown via CMAUP database
> Organoheterocyclic compounds / Azaspirodecane derivatives
(1R,3'R,4R,6S,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione 7566707 Click to see CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C 381.40 unknown via CMAUP database
Petasitenine 5281741 Click to see CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C 381.40 unknown via CMAUP database
> Organoheterocyclic compounds / Naphthofurans
(1R,2S,3S,4R,5S,8R,10R,13R)-5-hydroxy-2-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one 102210185 Click to see CC1C(CCC2C1(C(C34C(C(=O)OC3(C2)O4)C)OC)C)O 296.36 unknown via CMAUP database
(2S)-2alpha,4beta,9aalpha-Trimethoxy-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan-6beta-ol 15381666 Click to see CC1C(CCC2C1(C(C3=C(C(OC3(C2)OC)OC)C)OC)C)O 326.40 unknown via CMAUP database
[(1S,2S,3S,4R,5S,8R,10S,13S)-5-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-2-yl] (Z)-2-methylbut-2-enoate 102065429 Click to see CC=C(C)C(=O)OC1C2(C(C(CCC2CC34C1(O3)C(C(=O)O4)C)O)C)C 364.40 unknown via CMAUP database
2-Butenoic acid, 2-methyl-, (3S,3aS,4S,4aS,5R,6S,8aR,9aS)-decahydro-3,4a,5-trimethyl-6-[[(2Z)-3-(methylthio)-1-oxo-2-propenyl]oxy]-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-4-yl ester, (2Z)- 102065430 Click to see CC=C(C)C(=O)OC1C2(C(C(CCC2CC34C1(O3)C(C(=O)O4)C)OC(=O)C=CSC)C)C 464.60 unknown via CMAUP database
2-Butenoic acid, 2-methyl-, decahydro-6-hydroxy-3,4a,5-trimethyl-2-oxo-3a,9a-epoxynaphtho[2,3-b]furan-4-yl ester, [3R-[3alpha,3aalpha,4beta(Z),4abeta,5beta,6beta,8abeta,9aalpha]]- 102065427 Click to see CC=C(C)C(=O)OC1C2(C(C(CCC2CC34C1(O3)C(C(=O)O4)C)O)C)C 364.40 unknown via CMAUP database
2-Methylisocrotonic acid [(2S)-6beta-hydroxy-2alpha,9abeta-dimethoxy-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan]-4beta-yl ester 101942895 Click to see CC=C(C)C(=O)OC1C2=C(C(OC2(CC3C1(C(C(CC3)O)C)C)OC)OC)C 394.50 unknown via CMAUP database
2-Propenoic acid, 3-(methylthio)-, (3R,3aR,4S,4aS,5R,6S,8aR,9aR)-decahydro-4-methoxy-3,4a,5-trimethyl-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-6-yl ester, (2Z)- 102065428 Click to see CC1C(CCC2C1(C(C34C(C(=O)OC3(C2)O4)C)OC)C)OC(=O)C=CSC 396.50 unknown via CMAUP database
> Organoheterocyclic compounds / Oxanes
Epoxyeremopetasinorol 15275909 Click to see CC1C(CCC2C1(C3C(C2)(O3)C(=O)C)C)O 224.30 unknown via CMAUP database
> Organoheterocyclic compounds / Pyrrolizidines
Petasinine 6440436 Click to see CC=C(C)C(=O)OC1CN2CCCC2C1CO 239.31 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(2R,3R)-2-(3,4-Dihydroxybenzyl)-2-hydroxy-3-(3,4-dihydroxy-trans-cinnamoyloxy)succinic acid 101249839 Click to see C1=CC(=C(C=C1CC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O 434.30 unknown via CMAUP database
3-(3,4-Dihydroxyphenyl)-2-oxopropyl caffeate 6438779 Click to see C1=CC(=C(C=C1CC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 344.30 unknown via CMAUP database
Fukinolic acid 6441059 Click to see C1=CC(=C(C=C1CC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O 434.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
Cianidanol 9064 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown https://doi.org/10.1016/S0928-3420(99)80023-8
Epicatechin 72276 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown https://doi.org/10.1016/S0928-3420(99)80023-8
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Quercetin 5280343 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 302.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
Isoquercetin 5280804 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.40 unknown via CMAUP database
Quercetin 3-O-(6''-acetyl-glucoside) 10006384 Click to see CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 506.40 unknown via CMAUP database
Rutin 5280805 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O 610.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Macrolides and analogues
Senkirkine 5281752 Click to see CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C 365.40 unknown via CMAUP database

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