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CHEBI:5865 - Ilexolide A

ChEBI IDCHEBI:5865
ChEBI NameIlexolide A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H54O7
Net Charge0
Average Mass586.810
Monoisotopic Mass586.38695
SMILES[H][C@]12CC=C3C4=C(C)[C@@H](C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(18-36)41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23-,24+,25-,27-,28+,29-,32-,33+,34+,35-/m0/s1
InChIKeyFHYVXROQJGJCKH-GBYWDZGLSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Ilexolide A (CHEBI:5865) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Ilexolide AKEGG COMPOUND
Manual XrefsDatabases
C08957KEGG COMPOUND
C00003531KNApSAcK
Registry NumbersSources
CAS:85344-31-6KEGG COMPOUND