3-(O-β-glucosyl)-(2-oxindol-3-yl)acetyl-L-aspartate

Chemical Formula:

C₂₀H₂₂N₂O₁₂

Molecular Weight:

482.4 Daltons

Monoisotopic Mass:

484.132924246 Daltons

SMILES:

C(O)C3(C(O)C(O)C(O)C(OC1(C(=O)NC2(C=CC=CC1=2))CC(NC(C(=O)[O-])CC([O-])=O)=O)O3)

InChI:

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)/p-2/t10-,11+,14+,15-,16+,18-,20?/m0/s1

InChIKey:

ANAVISFXAGVRIA-VSHICFTDSA-L

Synonyms

3-(O-β-glucosyl)-2-oxindole-3-acetyl-aspartic acid
3-(O-β-glucosyl)-2-indolone-3-acetyl-aspartic acid
3-(O-β-glucosyl)-dioxindole-3-acetyl-aspartic acid

Databases

MetaCyc: 3-O-BETA-GLUCOSYL-2-OXINDOLE-3-ACETYL-

PubChem (CID): 126961162

Seed: cpd22037

HMDB: HMDB39409

MetaNetX: MNXM14504