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CHEBI:79681 - 17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol

ChEBI IDCHEBI:79681
ChEBI Name17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC26H33NO2
Net Charge0
Average Mass391.555
Monoisotopic Mass391.25113
SMILES[H][C@@]12CC[C@@](O)(CNCc3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C26H33NO2/c1-25-13-11-22-21-10-8-20(28)15-19(21)7-9-23(22)24(25)12-14-26(25,29)17-27-16-18-5-3-2-4-6-18/h2-6,8,10,15,22-24,27-29H,7,9,11-14,16-17H2,1H3/t22-,23-,24+,25+,26-/m1/s1
InChIKeyHKQCBICFBAZMCN-PUHDZGQXSA-N
ChEBI Ontology
Outgoing Relation(s)
17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol (CHEBI:79681) is a 3-hydroxy steroid (CHEBI:36834)
Manual XrefsDatabases
C15163KEGG COMPOUND