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CHEBI:79727 - 3-Hydroxyestra-1,3,5(10)-trien-16-one

ChEBI IDCHEBI:79727
ChEBI Name3-Hydroxyestra-1,3,5(10)-trien-16-one
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC18H22O2
Net Charge0
Average Mass270.372
Monoisotopic Mass270.16198
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)CC(=O)C[C@]12[H]
InChIInChI=1S/C18H22O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,15-17,19H,2,4,6-7,9-10H2,1H3/t15-,16-,17+,18-/m1/s1
InChIKeyVUQQUDLAAJRNMK-ZJPYXAASSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxyestra-1,3,5(10)-trien-16-one (CHEBI:79727) is a 3-hydroxy steroid (CHEBI:36834)
Manual XrefsDatabases
C15215KEGG COMPOUND