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CHEBI:190043 - Estra-4,9-diene-3,17-dione

ChEBI IDCHEBI:190043
ChEBI NameEstra-4,9-diene-3,17-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O2
Net Charge0
Average Mass270.372
Monoisotopic Mass270.16198
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3/t15-,16+,18+/m1/s1
InChIKeyBHTWZQKERRCPRZ-RYRKJORJSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Estra-4,9-diene-3,17-dione (CHEBI:190043) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(8S,13S,14S)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Manual XrefsDatabases
8010890ChemSpider
Registry NumbersSources
CAS:5173-46-6ChemIDplus