CHEBI:216168 - (4S,5S,7R,9S)-9,11-dihydroxyeremophil-1(10)-en-2-one

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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 (4S,5S,7R,9S)-9,11-dihydroxyeremophil-1(10)-en-2-one
ChEBI ID CHEBI:216168
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O3
Net Charge 0
Average Mass 252.354
Monoisotopic Mass 252.17254
InChI InChI=1S/C15H24O3/c1-9-5-11(16)7-12-13(17)6-10(14(2,3)18)8-15(9,12)4/h7,9-10,13,17-18H,5-6,8H2,1-4H3/t9-,10-,13-,15-/m0/s1
InChIKey YWIRGLMZNJNOOW-MJVIGCOGSA-N
SMILES O=C1C=C2[C@](C[C@@H](C(O)(C)C)C[C@@H]2O)(C)[C@H](C1)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: PubMed
ChEBI Ontology
Outgoing (4S,5S,7R,9S)-9,11-dihydroxyeremophil-1(10)-en-2-one (CHEBI:216168) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4S,4aS,6R,8S)-8-hydroxy-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one