EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232439 - mycophenolic acid glucuronide

Default Structure
ChEBI IDCHEBI:232439
ChEBI Namemycophenolic acid glucuronide
Stars
Secondary ChEBI IDCHEBI:235440
Submitterjhunter, mwilliams
DownloadsMolfile
FormulaC23H28O12
Net Charge0
Average Mass496.465
Monoisotopic Mass496.15808
SMILESCOc1c(C)c2c(c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2
InChIInChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1
InChIKeyBYFGTSAYQQIUCN-HGIHDBQLSA-N
ChEBI Ontology
Outgoing Relation(s)
mycophenolic acid glucuronide (CHEBI:232439) is a glycoside (CHEBI:24400)
IUPAC Name 
6-({5-[(2Z)-5-carboxy-3-methylpent-2-en-1-yl]-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060634HMDB