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CHEBI:79551 - 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one

ChEBI IDCHEBI:79551
ChEBI Name3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Stars
DownloadsMolfile
FormulaC22H26O3
Net Charge0
Average Mass338.447
Monoisotopic Mass338.18819
SMILES[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CCc1c2cc(OC)c2cc(OC)ccc12
InChIInChI=1S/C22H26O3/c1-13(23)19-7-8-20-17-12-21(25-4)18-11-14(24-3)5-6-15(18)16(17)9-10-22(19,20)2/h5-6,11-12,19-20H,7-10H2,1-4H3/t19-,20+,22-/m1/s1
InChIKeyJAAOEGCBXVGVLL-RZUBCFFCSA-N
ChEBI Ontology
Outgoing Relation(s)
3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one (CHEBI:79551) is a 20-oxo steroid (CHEBI:36885)
Manual XrefsDatabases
C15029KEGG COMPOUND