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CHEBI:79728 - 3-Methoxyestriol

ChEBI IDCHEBI:79728
ChEBI Name3-Methoxyestriol
Stars
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](O)C[C@@]21[H]
InChIInChI=1S/C19H26O3/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/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1
InChIKeyUHQGCIIQUZBJAE-QKDSSNGWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methoxyestriol (CHEBI:79728) has parent hydride estrane (CHEBI:23966)
3-Methoxyestriol (CHEBI:79728) is a steroid (CHEBI:35341)
Synonyms  Source
3-Methoxyestra-1,3,5(10)-triene-16alpha,17beta-diolKEGG COMPOUND
Estriol 3-methyl etherKEGG COMPOUND
Manual XrefsDatabases
C15216KEGG COMPOUND
Registry NumbersSources
CAS:1474-53-9KEGG COMPOUND