input word = C00062603

Metabolite InformationStructural formula
Name 3-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-1-benzopyrylium
Formula C27H31O16
Mw 611.16120995
CAS RN 651768-26-2
C_ID C00062603
InChIKey RNNDUDNKXCUQFJ-ZOTFFYTFSA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-13(14)32)25-16(6-11-12(31)4-10(30)5-15(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES OCC1OC(Oc2ccc(-c3[o+]c4cc(O)cc(O)c4cc3OC3OC(CO)C(O)C(O)C3O)cc2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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