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CHEBI:79496 - 3-Deoxyestrone

ChEBI IDCHEBI:79496
ChEBI Name3-Deoxyestrone
Stars
DownloadsMolfile
FormulaC18H22O
Net Charge0
Average Mass254.373
Monoisotopic Mass254.16707
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccccc3CC[C@@]21[H]
InChIInChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKeyLGHBWDKMGOIZKH-CBZIJGRNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Deoxyestrone (CHEBI:79496) has parent hydride estrane (CHEBI:23966)
3-Deoxyestrone (CHEBI:79496) is a steroid (CHEBI:35341)
Synonyms  Source
Estra-1,3,5(10)-trien-17-oneKEGG COMPOUND
AdopronKEGG COMPOUND
Manual XrefsDatabases
C14972KEGG COMPOUND
Registry NumbersSources
CAS:53-45-2KEGG COMPOUND