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

ChEBI IDCHEBI:216168
ChEBI Name(4S,5S,7R,9S)-9,11-dihydroxyeremophil-1(10)-en-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@H]1CC(=O)C=C2[C@@H](O)C[C@H](C(C)(C)O)C[C@]21C
InChIInChI=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
InChIKeyYWIRGLMZNJNOOW-MJVIGCOGSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (32955237)
ChEBI Ontology
Outgoing Relation(s)
(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