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CHEBI:79647 - Estra-1,3,5(10)-triene-2,17beta-diol

ChEBI IDCHEBI:79647
ChEBI NameEstra-1,3,5(10)-triene-2,17beta-diol
Stars
DownloadsMolfile
FormulaC18H24O2
Net Charge0
Average Mass272.388
Monoisotopic Mass272.17763
SMILES[H][C@@]12CCc3ccc(O)cc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C18H24O2/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,19-20H,3,5-9H2,1H3/t13-,14+,16-,17-,18-/m0/s1
InChIKeyYEOSPIFUAAHCPK-YFUQURRKSA-N
ChEBI Ontology
Outgoing Relation(s)
Estra-1,3,5(10)-triene-2,17beta-diol (CHEBI:79647) has parent hydride estrane (CHEBI:23966)
Estra-1,3,5(10)-triene-2,17beta-diol (CHEBI:79647) is a steroid (CHEBI:35341)
Synonym  Source
2-Hydroxy-3-deoxyestradiolKEGG COMPOUND
Manual XrefsDatabases
C15129KEGG COMPOUND
Registry NumbersSources
CAS:2259-89-4KEGG COMPOUND