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N-[beta-glucosyl-(1,4)-beta-glucosyl]-(oxindol-3-yl)acetyl-aspartate

Properties

Image

Occurences in reactions

MNX_ID

MNXM20154

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₆H₃₂N₂O₁₆

charge

-2

mass

628.17628

reference

metacycM:CPD-9603

InChIKey

DYFLXRJSODBNCV-JYOFUZOCSA-L

InChI

InChI=1S/C26H34N2O16/c29-7-13-17(34)18(35)21(38)26(43-13)44-22-14(8-30)42-24(20(37)19(22)36)28-12-4-2-1-3-9(12)10(23(28)39)5-15(31)27-11(25(40)41)6-16(32)33/h1-4,10-11,13-14,17-22,24,26,29-30,34-38H,5-8H2,(H,27,31)(H,32,33)(H,40,41)/p-2/t10?,11-,13+,14+,17+,18-,19+,20+,21+,22+,24+,26-/m0/s1

SMILES

O=C([O-])C[C@H](NC(=O)CC1C(=O)N([C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c2ccccc21)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-9603 metacycM:CPD-9603	N-[beta-glucosyl-(1,4)-beta-glucosyl]-(oxindol-3-yl)acetyl-aspartate OxIAA-Asp-N-Glc-Glc glucopyranosyl-beta-1,4-glucopyranosyl-beta-1-N-oxindole-3-acetyl-N-aspartic acid oxindole-3-acetyl-aspartatic acid-N-beta-glucosyl-beta-1,4-glucose oxindole-3-acetyl-aspartyl-N-beta-glucosyl-beta-1,4-glucoside
seed.compound:cpd25748 seedM:cpd25748	OxIAA-Asp-N-Glc-Glc glucopyranosyl-beta-1,4-glucopyranosyl-beta-1-N-oxindole-3-acetyl-N-aspartic acid oxindole-3-acetyl-aspartate-N-beta-glucosyl-beta-1,4-glucose oxindole-3-acetyl-aspartatic acid-N-beta-glucosyl-beta-1,4-glucose oxindole-3-acetyl-aspartyl-N-beta-glucosyl-beta-1,4-glucoside
seedM:M_cpd25748	secondary/obsolete/fantasy identifier