CHEBI:216174 - (4S,5S,7R,8R)-8,11-dihydroxyeremophil-9-en-1-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,8R)-8,11-dihydroxyeremophil-9-en-1-one
ChEBI ID CHEBI:216174
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/c1-9-5-6-12(16)10-7-13(17)11(14(2,3)18)8-15(9,10)4/h7,9,11,13,17-18H,5-6,8H2,1-4H3/t9-,11+,13+,15-/m0/s1
InChIKey HTNUHNVPSOBQOZ-XKFJNSEWSA-N
SMILES O=C1C2=C[C@@H](O)[C@H](C(O)(C)C)C[C@]2([C@@H](C)CC1)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: PubMed
ChEBI Ontology
Outgoing (4S,5S,7R,8R)-8,11-dihydroxyeremophil-9-en-1-one (CHEBI:216174) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4S,4aS,6R,7R)-7-hydroxy-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-one