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mycophenolic acid O-acyl-beta-D-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM19489

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₂₃H₂₇O₁₂

charge

-1

mass

495.1508

reference

chebi:66982

InChIKey

QBMSTEZXAMABFF-UEARNRKISA-M

InChI

InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/p-1/b9-4+/t16-,17-,18+,20-,23+/m0/s1

SMILES

COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66982 chebi:66982	mycophenolic acid O-acyl-beta-D-glucuronide 1-O-[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]-beta-D-glucopyranuronate AcMPAG(1-) mycophenolic acid O-acyl-glucuronide anion mycophenolic acid O-acyl-glucuronide(1-) mycophenolic acid acyl glucuronide(1-) mycophenolic acid acyl-glucuronide(1-) mycophenolic acid-O-acyl-beta-D-glucopyranuronoside(1-)
kegg.compound:C20383 keggC:C20383	Mycophenolic acid O-acyl-glucuronide
hmdb:HMDB0060491	Mycophenolic acid O-acyl-glucuronide (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxy}oxane-2-carboxylic acid (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxy}oxane-2-carboxylic acid AcMPAG Mycophenolate O-acyl-glucuronide Mycophenolate acyl glucuronide Mycophenolate acyl-glucuronide Mycophenolate-O-acyl-b-D-glucopyranuronoside Mycophenolate-O-acyl-beta-D-glucopyranuronoside Mycophenolic acid acyl glucuronide Mycophenolic acid acyl-glucuronide Mycophenolic acid-O-acyl-b-D-glucopyranuronoside Mycophenolic acid-O-acyl-beta-D-glucopyranuronoside
seed.compound:cpd31072 seedM:cpd31072	Mycophenolic acid O-acyl-glucuronide mycophenolic acid O-acyl-glucuronide
metacyc.compound:CPD-14602 metacycM:CPD-14602	mycophenolic acid O-acyl-glucuronide
CHEBI:64689 chebi:64689	mycophenolic acid O-acyl-glucuronide 1-O-[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]-beta-D-glucopyranuronic acid AcMPAG mycophenolic acid acyl glucuronide mycophenolic acid acyl-glucuronide mycophenolic acid-O-acyl-beta-D-glucopyranuronoside
hmdb:HMDB60491 keggC:M_C20383 seedM:M_cpd31072	secondary/obsolete/fantasy identifier