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CHEBI:79692 - Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid

ChEBI IDCHEBI:79692
ChEBI NameEstra-1,3,5-(10)-trien-17-one-3-oxyacetic acid
Stars
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OCC(=O)O)cc3CC[C@@]21[H]
InChIInChI=1S/C20H24O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-17H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,20+/m1/s1
InChIKeyXSDCLHQDGODZPZ-WWNBULGVSA-N
ChEBI Ontology
Outgoing Relation(s)
Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid (CHEBI:79692) has parent hydride estrane (CHEBI:23966)
Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid (CHEBI:79692) is a steroid (CHEBI:35341)
Synonym  Source
3-O-(Carboxymethyl)estroneKEGG COMPOUND
Manual XrefsDatabases
C15174KEGG COMPOUND