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CHEBI:175693 - Ambolic acid

Default Structure
ChEBI IDCHEBI:175693
ChEBI NameAmbolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O3
Net Charge0
Average Mass470.738
Monoisotopic Mass470.37600
SMILESC=C(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(C)C(=O)O
InChIInChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)
InChIKeyFCQSIIVNJCMJLB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ambolic acid (CHEBI:175693) is a triterpenoid (CHEBI:36615)
IUPAC Name 
6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methyl-3-methylideneheptanoic acid
Manual XrefsDatabases
74886429ChemSpider
HMDB0035713HMDB