5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid (Q27163099)

6-(Malonyl-GlcO)-I3CO2H (English)

9 October 2016

chemical formula

C₁₈H₁₉NO₁₁

1 reference

6-(Malonyl-GlcO)-I3CO2H (English)

9 October 2016

canonical SMILES

C1=CC2=C(C=C1OC3C(C(C(C(O3)COC(=O)CC(=O)O)O)O)O)C(=CN2)C(=O)O

1 reference

6-(Malonyl-GlcO)-I3CO2H (English)

9 October 2016

isomeric SMILES

C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)O)O)O)O)C(=CN2)C(=O)O

1 reference

6-(Malonyl-GlcO)-I3CO2H (English)

InChI=1S/C18H19NO11/c20-12(21)4-13(22)28-6-11-14(23)15(24)16(25)18(30-11)29-7-1-2-10-8(3-7)9(5-19-10)17(26)27/h1-3,5,11,14-16,18-19,23-25H,4,6H2,(H,20,21)(H,26,27)/t11-,14-,15+,16-,18-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

6-(Malonyl-GlcO)-I3CO2H (English)

WXIACXAKMZPXKX-AJZPPWIDSA-N

9 October 2016

InChIKey

2 references

6-(Malonyl-GlcO)-I3CO2H (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-(Malonyl-GlcO)-I3CO2H (English)

9 October 2016

ChEBI ID

91163

mapping relation type

1 reference