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N-(beta-glucosyl)-(oxindol-3-yl)acetyl-aspartate

Properties

Image

Occurences in reactions

MNX_ID

MNXM12552

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₀H₂₂N₂O₁₁

charge

-2

mass

466.12346

reference

metacycM:CPD-9602

InChIKey

YEQCZLUNTZHCGP-BDDOYPOTSA-L

InChI

InChI=1S/C20H24N2O11/c23-7-12-15(27)16(28)17(29)19(33-12)22-11-4-2-1-3-8(11)9(18(22)30)5-13(24)21-10(20(31)32)6-14(25)26/h1-4,9-10,12,15-17,19,23,27-29H,5-7H2,(H,21,24)(H,25,26)(H,31,32)/p-2/t9?,10-,12+,15+,16-,17+,19+/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](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-9602 metacycM:CPD-9602	N-(beta-glucosyl)-(oxindol-3-yl)acetyl-aspartate OxIAA-Asp-N-Glc OxIAA-aspartate-beta-glucose glucopyranosyl-beta-1-N-oxindole-3-acetyl-N-aspartate glucopyranosyl-beta-1-N-oxindole-3-acetyl-N-aspartic acid
seed.compound:cpd25747 seedM:cpd25747	OxIAA-Asp-N-Glc OxIAA-aspartate-beta-glucose glucopyranosyl-beta-1-N-oxindole-3-acetyl-N-aspartate glucopyranosyl-beta-1-N-oxindole-3-acetyl-N-aspartic acid oxindole-3-acetyl-aspartate-N-beta-glucose
seedM:M_cpd25747	secondary/obsolete/fantasy identifier