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

ChEBI IDCHEBI:79797
ChEBI Name17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one
Stars
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)C(=O)C[C@@]21[H]
InChIInChI=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
InChIKeyHYTUXCLDWATLGA-SMYFESCOSA-N
ChEBI Ontology
Outgoing Relation(s)
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 etherKEGG COMPOUND
Manual XrefsDatabases
C15295KEGG COMPOUND