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CHEBI:181107 - Ilexgenina

Default Structure
ChEBI IDCHEBI:181107
ChEBI NameIlexgenina
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O6
Net Charge0
Average Mass502.692
Monoisotopic Mass502.32944
SMILESCC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O
InChIInChI=1S/C30H46O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,17,19-22,31,36H,8-16H2,1-6H3,(H,32,33)(H,34,35)
InChIKeyUIEGOKVPCRANSU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ilexgenina (CHEBI:181107) is a triterpenoid (CHEBI:36615)
IUPAC Name 
3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Manual XrefsDatabases
21613214ChemSpider