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CHEBI:79419 - 17-Allylestra-1,3,5(10)-triene-3,17beta-diol

ChEBI IDCHEBI:79419
ChEBI Name17-Allylestra-1,3,5(10)-triene-3,17beta-diol
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C21H28O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,5,7,13,17-19,22-23H,1,4,6,8-12H2,2H3/t17-,18-,19+,20+,21+/m1/s1
InChIKeyXEKBJRSLNPZRAN-MJCUULBUSA-N
ChEBI Ontology
Outgoing Relation(s)
17-Allylestra-1,3,5(10)-triene-3,17beta-diol (CHEBI:79419) is a 3-hydroxy steroid (CHEBI:36834)
Manual XrefsDatabases
C14892KEGG COMPOUND