CHEBI:79797 - 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one
ChEBI ID CHEBI:79797
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H24O3
Net Charge 0
Average Mass 300.39210
Monoisotopic Mass 300.17254
InChI InChI=1S/C19H24O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-16,18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,18+,19+/m1/s1
InChIKey HYTUXCLDWATLGA-SMYFESCOSA-N
SMILES COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)C(=O)C[C@H]4[C@@H]3CCc2c1
ChEBI Ontology
Outgoing 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one (CHEBI:79797) has parent hydride estrane (CHEBI:23966)
17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one (CHEBI:79797) is a steroid (CHEBI:35341)
Synonym Source
16-Oxoestradiol 3-methyl ether KEGG COMPOUND
Manual Xref Database
C15295 KEGG COMPOUND
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