input word = C00063205

Metabolite InformationStructural formula
Name 6-[[6-O-(2-Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-1H-indole-3-carboxylic acid
Formula C18H19NO11
Mw 425.09581046
CAS RN 863507-76-0
C_ID C00063205
InChIKey SFCSLFWAODSGKQ-AJZPPWIDSA-N
InChICode InChI=1S/C18H19NO11/c20-12(21)4-13(22)28-6-11-14(23)15(24)16(25)18(30-11)29-7-1-2-8-9(17(26)27)5-19-10(8)3-7/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
SMILES O=C(O)CC(=O)OCC1OC(Oc2ccc3c(C(=O)O)c[nH]c3c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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