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CHEBI:144152 - 3-Hydroxycolensoic acid

Default Structure
ChEBI IDCHEBI:144152
ChEBI Name3-Hydroxycolensoic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC25H30O8
Net Charge0
Average Mass458.507
Monoisotopic Mass458.19407
SMILESCCCCCc1cc(OC)c(O)c2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2
InChIInChI=1S/C25H30O8/c1-4-6-8-10-14-12-17(31-3)21(27)23-19(14)25(30)32-18-13-16(26)20(24(28)29)15(22(18)33-23)11-9-7-5-2/h12-13,26-27H,4-11H2,1-3H3,(H,28,29)
InChIKeyVZPSCITXDMDLDC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxycolensoic acid (CHEBI:144152) is a carbonyl compound (CHEBI:36586)