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CHEBI:79459 - 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol

ChEBI IDCHEBI:79459
ChEBI Name16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Stars
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@](O)(CCC)C[C@@]21[H]
InChIInChI=1S/C22H32O3/c1-4-10-22(24)13-19-18-7-5-14-12-15(25-3)6-8-16(14)17(18)9-11-21(19,2)20(22)23/h6,8,12,17-20,23-24H,4-5,7,9-11,13H2,1-3H3/t17-,18-,19+,20-,21+,22+/m1/s1
InChIKeyCVNVHOYBHQEWMN-BTOHRNCKSA-N
ChEBI Ontology
Outgoing Relation(s)
16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79459) has parent hydride estrane (CHEBI:23966)
16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79459) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C14934KEGG COMPOUND