CHEBI:212783 - Eupenicinicol B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Eupenicinicol B
ChEBI ID CHEBI:212783
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O3
Net Charge 0
Average Mass 320.473
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-6-8-17(22)20(5)15(12(3)7-2)10-9-14-18(20)13(4)11-16(21)19(14)23/h6,8-10,12-16,18-19,21,23H,7,11H2,1-5H3/b8-6+/t12-,13-,14-,15-,16-,18+,19+,20-/m1/s1
InChIKey TYAHOTSECGQFPS-KNJHQLMTSA-N
SMILES O=C(/C=C/C)[C@@]1([C@@H]2[C@@H](C=C[C@@H]1[C@@H](CC)C)[C@H](O)[C@H](O)C[C@H]2C)C
Metabolite of Species Details
Penicilliumspecies LG41 (NCBI:txid1564184) See: PubMed
ChEBI Ontology
Outgoing Eupenicinicol B (CHEBI:212783) is a enone (CHEBI:51689)
IUPAC Name
(E)-1-[(1S,2S,4aR,5S,6R,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]but-2-en-1-one
Manual Xref Database
78437477 ChemSpider
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