input word = C00062604

Metabolite InformationStructural formula
Name 2-(3,4-Dihydroxyphenyl)-3-[[3-O-beta-D-glucopyranosyl-6-O-(3-methoxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium
Formula C31H35O19
Mw 711.17725394
CAS RN 651768-34-2
C_ID C00062604
InChIKey KMLPHBZWCZYJJY-SKVAVYTJSA-O
InChICode InChI=1S/C31H34O19/c1-44-21(37)8-22(38)45-10-20-24(40)29(50-30-26(42)25(41)23(39)19(9-32)48-30)27(43)31(49-20)47-18-7-13-15(35)5-12(33)6-17(13)46-28(18)11-2-3-14(34)16(36)4-11/h2-7,19-20,23-27,29-32,39-43H,8-10H2,1H3,(H3-,33,34,35,36)/p+1/t19-,20-,23-,24-,25+,26-,27-,29+,30+,31-/m1/s1
SMILES COC(=O)CC(=O)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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