CHEBI:216178 - (4S,5S,7R)-11-hydroxyeremophil-1(10)-ene-2,9-dione

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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)-11-hydroxyeremophil-1(10)-ene-2,9-dione
ChEBI ID CHEBI:216178
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O3
Net Charge 0
Average Mass 250.338
Monoisotopic Mass 250.15689
InChI InChI=1S/C15H22O3/c1-9-5-11(16)7-12-13(17)6-10(14(2,3)18)8-15(9,12)4/h7,9-10,18H,5-6,8H2,1-4H3/t9-,10-,15-/m0/s1
InChIKey HJWOEYYNCFGQDF-YHAQOWFVSA-N
SMILES O=C1C2=CC(=O)C[C@@H]([C@@]2(C[C@H](C1)C(O)(C)C)C)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: PubMed
ChEBI Ontology
Outgoing (4S,5S,7R)-11-hydroxyeremophil-1(10)-ene-2,9-dione (CHEBI:216178) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(3R,4aS,5S)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione