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CHEBI:235440 - Mycophenolic acid glucoronide

Default Structure
ChEBI IDCHEBI:235440
ChEBI NameMycophenolic acid glucoronide
Stars
Submitterjhunter
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 glucoronide (CHEBI:235440) is a organic molecular entity (CHEBI:50860)