input word = C00062999

Metabolite InformationStructural formula
Name (2S)-1-[2-(6-Carboxy-2,3-dihydro-4-pyridinyl)ethenyl]-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indole-2-carboxylic acid
Formula C23H26N2O11
Mw 506.15365969
CAS RN 783305-29-3
C_ID C00062999
InChIKey AQLGTTILXMTNNC-VRKSCTTKSA-N
InChICode InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-6-14(22(33)34)25(13(11)8-15(16)27)4-2-10-1-3-24-12(5-10)21(31)32/h2,4-5,7-8,14,17-20,23,26-30H,1,3,6,9H2,(H,31,32)(H,33,34)/t14-,17+,18+,19-,20+,23+/m0/s1
SMILES O=C(O)C1=NCCC(C=CN2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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