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CHEBI:234081 - ursolate

ChEBI IDCHEBI:234081
ChEBI Nameursolate
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC30H47O3
Net Charge-1
Average Mass455.703
Monoisotopic Mass455.35307
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)[O-])CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/p-1/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChIKeyWCGUUGGRBIKTOS-GPOJBZKASA-M
ChEBI Ontology
Outgoing Relation(s)
ursolate (CHEBI:234081) is a monocarboxylic acid anion (CHEBI:35757)
ursolate (CHEBI:234081) is conjugate base of ursolic acid (CHEBI:9908)
Incoming Relation(s)
ursolic acid (CHEBI:9908) is conjugate acid of ursolate (CHEBI:234081)
UniProt Name  Source
ursolateUniProt
Manual XrefsDatabases
CPD-14496MetaCyc