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

MNXM14504 is deprecated and here replaced by MNXM728466
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728466 Image of MNXM728466
referencechebi:184657
formulaC20H24N2O12
global charge0
mol weight484.414
InChIKeyANAVISFXAGVRIA-UHFFFAOYSA-N
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)
SMILESO=C(O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=C1C=CC=C2)C(=O)O
MNX internals
InChI (mnx)InChI=1/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)/t10?,11?,14?,15?,16?,18?,20? Image of MNXM728466
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]2[C:8](=[CH:3]1)[C:20]([CH2:6][C:12](=[N:21][CH:10]([CH2:5][C:13](=[O:25])[OH:26])[C:17](=[O:30])[OH:31])[OH:24])([O:34][CH:18]1[CH:16]([OH:29])[CH:15]([OH:28])[CH:14]([OH:27])[CH:11]([CH2:7][OH:23])[O:33]1)[C:19]([OH:32])=[N:22]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184657
chebi:184657
ANAVISFXAGVRIA-UHFFFAOYSA-N 		N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid
2-[[2-[2-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetyl]amino]butanedioic acid
hmdb:HMDB0039409
ANAVISFXAGVRIA-UHFFFAOYSA-N 		N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid
2-[2-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetamido]butanedioic acid
2-[2-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-3-yl)acetamido]butanedioic acid
2-{[1-hydroxy-2-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-indol-3-yl)ethylidene]amino}butanedioate
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartate

hmdb:HMDB39409 		secondary/obsolete/fantasy identifier