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CHEBI:34331 - 3-Deoxyestradiol

ChEBI IDCHEBI:34331
ChEBI Name3-Deoxyestradiol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H24O
Net Charge0
Average Mass256.389
Monoisotopic Mass256.18272
SMILES[H][C@@]12CCc3ccccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKeyMUENRDYXOADTOC-ZBRFXRBCSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Deoxyestradiol (CHEBI:34331) has parent hydride estrane (CHEBI:23966)
3-Deoxyestradiol (CHEBI:34331) is a steroid (CHEBI:35341)
Synonyms  Source
3-DeoxyestradiolKEGG COMPOUND
3-Deoxy-17beta-estradiolKEGG COMPOUND
Manual XrefsDatabases
C14239KEGG COMPOUND
Registry NumbersSources
CAS:2529-64-8KEGG COMPOUND