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CHEBI:173214 - 5,9-Epidioxy-3-hydroxyergost-7-en-6-one

ChEBI IDCHEBI:173214
ChEBI Name5,9-Epidioxy-3-hydroxyergost-7-en-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCC(C)C(C)CCC(C)C1CCC2C3=CC(=O)C45CC(O)CCC4(C)C3(CCC21C)OO5
InChIInChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h15,17-22,29H,7-14,16H2,1-6H3
InChIKeyFZOPHVRKJMCTDV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
5,9-Epidioxy-3-hydroxyergost-7-en-6-one (CHEBI:173214) is a ergostanoid (CHEBI:50403)
IUPAC Name 
8-(5,6-dimethylheptan-2-yl)-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-3-en-2-one
Manual XrefsDatabases
HMDB0032667HMDB
74886385ChemSpider