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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Estra-1,3,5(10)-triene-2,17beta-diol
ChEBI ID CHEBI:79647
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H24O2
Net Charge 0
Average Mass 272.38200
Monoisotopic Mass 272.17763
InChI InChI=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
InChIKey YEOSPIFUAAHCPK-YFUQURRKSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccc(O)cc34)[C@@H]1CC[C@@H]2O
ChEBI Ontology
Outgoing 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-deoxyestradiol KEGG COMPOUND
Manual Xref Database
C15129 KEGG COMPOUND
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Registry Number Type Source
2259-89-4 CAS Registry Number KEGG COMPOUND