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4-methylumbelliferone beta-D-glucuronate

PropertiesImage
MNX_IDMNXM37643 Image of MNXM37643
referencechebi:144582
formulaC16H15O9
global charge-1
mol weight351.287
InChIKeyARQXEQLMMNGFDU-JHZZJYKESA-M
InChIInChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/p-1/t11-,12-,13+,14-,16+/m0/s1
SMILESCC1=CC(=O)OC2=C1C=CC(O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)=C2
MNX internals
InChI (mnx)InChI=1/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1 Image of MNXM37643
SMILES (mnx)[CH3:1][C:6]1=[CH:4][C:10](=[O:17])[O:24][C:9]2=[C:8]1[CH:3]=[CH:2][C:7]([O:23][C@H:16]1[C@H:13]([OH:20])[C@@H:11]([OH:18])[C@H:12]([OH:19])[C@@H:14]([C:15](=[O:21])[OH:22])[O:25]1)=[CH:5]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144582
chebi:144582
ARQXEQLMMNGFDU-JHZZJYKESA-M 		4-methylumbelliferone beta-D-glucuronate
4-methyl-2-oxo-2H-chromen-7-yl beta-D-glucopyranosiduronate
4-methylumbelliferone beta-D-glucopyranosiduronate
4-methylumbelliferone beta-D-glucuronide(1-)
hmdb:HMDB0240464
ARQXEQLMMNGFDU-JHZZJYKESA-N 		4-Methylumbelliferone glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4-methyl-2-oxochromen-7-yl)oxy]oxane-2-carboxylic acid
4-MUG
4-Methylumbelliferone b-D-glucuronide
4-Methylumbelliferone beta-D-glucuronide
4-Methylumbelliferyl b-glucuronide
4-Methylumbelliferyl beta-glucuronide
4-Methylumbelliferyl glucuronide
4-Methylumbelliferyl-beta-D-glucuronide
Hymecromone glucuronide

sabiork.compound:13644
sabiorkM:13644
kegg.compound:C11584
keggC:C11584
ARQXEQLMMNGFDU-JHZZJYKESA-N 		4-Methylumbelliferone glucuronide
4-Methylumbelliferyl glucuronide

seed.compound:cpd08401
seedM:cpd08401
ARQXEQLMMNGFDU-JHZZJYKESA-M 		4-Methylumbelliferyl glucuronide
4-Methylumbelliferone glucuronide

CHEBI:1904
chebi:1904
ARQXEQLMMNGFDU-JHZZJYKESA-N 		4-methylumbelliferone beta-D-glucuronide
4-MUG
4-Methylumbelliferone glucuronide
4-Methylumbelliferyl beta-glucuronide
4-Methylumbelliferyl glucuronide
4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid

keggC:M_C11584
seedM:M_cpd08401 		secondary/obsolete/fantasy identifier