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CHEBI:215977 - (2S,4S,5S,7S)-2,11-dihydroxyeremophil-9-en-8-one

ChEBI IDCHEBI:215977
ChEBI Name(2S,4S,5S,7S)-2,11-dihydroxyeremophil-9-en-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@H]1C[C@H](O)CC2=CC(=O)[C@H](C(C)(C)O)C[C@]21C
InChIInChI=1S/C15H24O3/c1-9-5-11(16)6-10-7-13(17)12(14(2,3)18)8-15(9,10)4/h7,9,11-12,16,18H,5-6,8H2,1-4H3/t9-,11-,12+,15-/m0/s1
InChIKeyBKVUVOHZOYNWHJ-BTABJRDXSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (29929021)
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5S,7S)-2,11-dihydroxyeremophil-9-en-8-one (CHEBI:215977) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,4aS,5S,7S)-7-hydroxy-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
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78443465ChemSpider