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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
ChEBI ID CHEBI:79551
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H26O3
Net Charge 0
Average Mass 338.44000
Monoisotopic Mass 338.18819
InChI InChI=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
InChIKey JAAOEGCBXVGVLL-RZUBCFFCSA-N
SMILES COc1ccc2c3CC[C@]4(C)[C@H](CC[C@H]4c3cc(OC)c2c1)C(C)=O
ChEBI Ontology
Outgoing 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one (CHEBI:79551) is a 20-oxo steroid (CHEBI:36885)
Manual Xref Database
C15029 KEGG COMPOUND
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