CHEBI:79728 - 3-Methoxyestriol

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ChEBI Name 3-Methoxyestriol
ChEBI ID CHEBI:79728
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H26O3
Net Charge 0
Average Mass 302.40790
Monoisotopic Mass 302.18819
InChI InChI=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
InChIKey UHQGCIIQUZBJAE-QKDSSNGWSA-N
SMILES COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)[C@H](O)C[C@H]4[C@@H]3CCc2c1
ChEBI Ontology
Outgoing 3-Methoxyestriol (CHEBI:79728) has parent hydride estrane (CHEBI:23966)
3-Methoxyestriol (CHEBI:79728) is a steroid (CHEBI:35341)
Synonyms Sources
3-Methoxyestra-1,3,5(10)-triene-16alpha,17beta-diol KEGG COMPOUND
Estriol 3-methyl ether KEGG COMPOUND
Manual Xref Database
C15216 KEGG COMPOUND
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Registry Number Type Source
1474-53-9 CAS Registry Number KEGG COMPOUND