input word = C00060648

Metabolite InformationStructural formula
Name 3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-1-benzopyrylium
Formula C24H27O12
Mw 507.15025133
CAS RN 197311-22-1
C_ID C00060648
InChIKey HOQYXINLVDTZAR-BKSKZGTRSA-O
InChICode InChI=1S/C24H26O12/c1-31-11-6-13(26)12-8-17(35-24-22(30)21(29)20(28)18(9-25)36-24)23(34-14(12)7-11)10-4-15(32-2)19(27)16(5-10)33-3/h4-8,18,20-22,24-25,28-30H,9H2,1-3H3,(H-,26,27)/p+1/t18-,20-,21+,22-,24-/m1/s1
SMILES COc1cc(O)c2cc(OC3OC(CO)C(O)C(O)C3O)c(-c3cc(OC)c(O)c(OC)c3)[o+]c2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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