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CHEBI:216174 - (4S,5S,7R,8R)-8,11-dihydroxyeremophil-9-en-1-one

ChEBI IDCHEBI:216174
ChEBI Name(4S,5S,7R,8R)-8,11-dihydroxyeremophil-9-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@H]1CCC(=O)C2=C[C@@H](O)[C@H](C(C)(C)O)C[C@]21C
InChIInChI=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
InChIKeyHTNUHNVPSOBQOZ-XKFJNSEWSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (32955237)
ChEBI Ontology
Outgoing Relation(s)
(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