CHEBI:79685 - 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one
ChEBI ID CHEBI:79685
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28O2
Net Charge 0
Average Mass 312.44580
Monoisotopic Mass 312.20893
InChI InChI=1S/C21H28O2/c1-13(22)19-8-9-20-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17-,18-,19-,20+,21-/m1/s1
InChIKey ILVARFYPEVEZSJ-SSSFQFABSA-N
SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CCc2c1
ChEBI Ontology
Outgoing 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one (CHEBI:79685) has parent hydride pregnane (CHEBI:8386)
3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one (CHEBI:79685) is a steroid (CHEBI:35341)
Manual Xref Database
C15167 KEGG COMPOUND
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