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CHEBI:217472 - (3S,7R)-1,4-epi-3,7-dihydroxyacoren-10-one

ChEBI IDCHEBI:217472
ChEBI Name(3S,7R)-1,4-epi-3,7-dihydroxyacoren-10-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=CC(=O)[C@@]2(C[C@H]1O)[C@@H](C(C)C)C[C@H](O)[C@H]2C
InChIInChI=1S/C15H24O3/c1-8(2)11-6-12(16)10(4)15(11)7-13(17)9(3)5-14(15)18/h5,8,10-13,16-17H,6-7H2,1-4H3/t10-,11-,12+,13-,15-/m1/s1
InChIKeyVXNBSBUJKPFQKE-ZHZXCYKASA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - DOI (10.1016/j.tetlet.2017.02.024)
ChEBI Ontology
Outgoing Relation(s)
(3S,7R)-1,4-epi-3,7-dihydroxyacoren-10-one (CHEBI:217472) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one
Manual XrefsDatabases
78443342ChemSpider