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CHEBI:184657 - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid

Default Structure
ChEBI IDCHEBI:184657
ChEBI NameN-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N2O12
Net Charge0
Average Mass484.414
Monoisotopic Mass484.13292
SMILESO=C(O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C20H24N2O12/c23-7-11-14(27)15(28)16(29)18(33-11)34-20(8-3-1-2-4-9(8)22-19(20)32)6-12(24)21-10(17(30)31)5-13(25)26/h1-4,10-11,14-16,18,23,27-29H,5-7H2,(H,21,24)(H,22,32)(H,25,26)(H,30,31)
InChIKeyANAVISFXAGVRIA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid (CHEBI:184657) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
2-[[2-[2-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetyl]amino]butanedioic acid
Manual XrefsDatabases
HMDB0039409HMDB