CHEBI:201033 - (2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid

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ChEBI Name (2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
ChEBI ID CHEBI:201033
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O5
Net Charge 0
Average Mass 414.542
Monoisotopic Mass 414.24062
InChI InChI=1S/C25H34O5/c1-14(6-7-23(28)29)8-15(2)9-22-21(12-20(27)13-26)16(3)10-19-11-17(4)25(30)18(5)24(19)22/h6-10,12,17-19,22,24-26,30H,11,13H2,1-5H3,(H,28,29)/b7-6+,14-8+,15-9+,21-12-/t17-,18+,19-,22+,24+,25+/m0/s1
InChIKey OQJAHXQKGGHDPO-IGHWRCALSA-N
SMILES O=C(O)/C=C/C(=C/C(=C/[C@@H]1/C(/C(=C[C@@H]2[C@H]1[C@H]([C@H](O)[C@H](C2)C)C)C)=C\C(=O)CO)/C)/C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing (2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid (CHEBI:201033) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
Manual Xref Database
8963267 ChemSpider
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