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CHEBI:79518 - 3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol

ChEBI IDCHEBI:79518
ChEBI Name3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol
Stars
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@](O)(CC)C[C@@]21[H]
InChIInChI=1S/C21H30O3/c1-4-21(23)12-18-17-7-5-13-11-14(24-3)6-8-15(13)16(17)9-10-20(18,2)19(21)22/h6,8,11,16-19,22-23H,4-5,7,9-10,12H2,1-3H3/t16-,17-,18+,19-,20+,21+/m1/s1
InChIKeyMIAWQCWOHVVLMH-YQPXSLGVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79518) has parent hydride estrane (CHEBI:23966)
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79518) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C14995KEGG COMPOUND