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CHEBI:79483 - Estra-1,3,5(10),16-tetraen-3-ol benzoate

ChEBI IDCHEBI:79483
ChEBI NameEstra-1,3,5(10),16-tetraen-3-ol benzoate
Stars
DownloadsMolfile
FormulaC25H26O2
Net Charge0
Average Mass358.481
Monoisotopic Mass358.19328
SMILES[H][C@@]12CC=C[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)c4ccccc4)cc3CC[C@@]21[H]
InChIInChI=1S/C25H26O2/c1-25-14-5-8-23(25)22-11-9-18-16-19(10-12-20(18)21(22)13-15-25)27-24(26)17-6-3-2-4-7-17/h2-7,10,12,14,16,21-23H,8-9,11,13,15H2,1H3/t21-,22-,23+,25+/m1/s1
InChIKeyKHAIFVOAJPIDQL-AHCIIZGASA-N
ChEBI Ontology
Outgoing Relation(s)
Estra-1,3,5(10),16-tetraen-3-ol benzoate (CHEBI:79483) has parent hydride estrane (CHEBI:23966)
Estra-1,3,5(10),16-tetraen-3-ol benzoate (CHEBI:79483) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C14959KEGG COMPOUND