input word = C00059888

Metabolite InformationStructural formula
Name 2-(3,4-Dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1->6)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium
Formula C32H39O20.Cl
Mw 778.1723214
CAS RN 141891-42-1
C_ID C00059888
InChIKey NKNHXQRWOLSVES-JKLUGCGKSA-N
InChICode InChI=1S/C32H38O20.ClH/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10;/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37);1H/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30-,31+,32-;/m1./s1
SMILES OCC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.[Cl-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
zoom in