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CHEBI:34339 - 3-Hydroxyestra-1,3,5(10),6-tetraen-17-one

ChEBI IDCHEBI:34339
ChEBI Name3-Hydroxyestra-1,3,5(10),6-tetraen-17-one
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC18H20O2
Net Charge0
Average Mass268.356
Monoisotopic Mass268.14633
SMILES[H][C@@]12C=Cc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKeyWTRRIQCGCGCMQA-CBZIJGRNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxyestra-1,3,5(10),6-tetraen-17-one (CHEBI:34339) is a 3-hydroxy steroid (CHEBI:36834)
Synonyms  Source
3-Hydroxyestra-1,3,5(10),6-tetraen-17-oneKEGG COMPOUND
6-DehydroestroneKEGG COMPOUND
Manual XrefsDatabases
C14650KEGG COMPOUND
Registry NumbersSources
CAS:2208-12-0KEGG COMPOUND