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CHEBI:212371 - Coibanol A

ChEBI IDCHEBI:212371
ChEBI NameCoibanol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESC=C(C)[C@@H]1CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)C[C@@H]3O
InChIInChI=1S/C16H22O4/c1-8(2)9-4-5-16(3)11(9)6-10-14(19)12(17)7-13(18)15(10)20-16/h9,11-13,17-18H,1,4-7H2,2-3H3/t9-,11+,12-,13-,16-/m0/s1
InChIKeyXXEZBUQSFPDVPL-KVNBTJPBSA-N
Species of MetaboliteComponentSourceComments
Trametes sanguinea (ncbitaxon:158606) - PubMed (25177062)
ChEBI Ontology
Outgoing Relation(s)
Coibanol A (CHEBI:212371) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3aS,5S,7S,9aR)-5,7-dihydroxy-3a-methyl-1-prop-1-en-2-yl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
78441948ChemSpider