input word = C00014856

Metabolite InformationStructural formula
Name Peonidin 3-[6-(rhamnosyl)-2-(xylosyl)glucoside]
Formula C33H41O19
Mw 741.22420413
CAS RN 266315-96-2
C_ID C00014856 ,
InChIKey QPRUMSQUWSXDAQ-ZKDVHBRCNA-O
InChICode InChI=1S/C33H40O19/c1-11-22(38)25(41)28(44)31(48-11)47-10-21-24(40)26(42)30(52-32-27(43)23(39)17(37)9-46-32)33(51-21)50-20-8-14-16(36)6-13(34)7-18(14)49-29(20)12-3-4-15(35)19(5-12)45-2/h3-8,11,17,21-28,30-33,37-44H,9-10H2,1-2H3,(H2-,34,35,36)/p+1/t11-,17-,21+,22-,23-,24+,25+,26-,27-,28-,30+,31+,32-,33+/m0/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O[C@@H]2OC[C@@H](O)[C@H](O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium padifolium Ref.
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