input word = C00014831

Metabolite InformationStructural formula
Name Malvidin 5-glucoside
Formula C23H25O12
Mw 493.13460127
CAS RN 35775-62-3
C_ID C00014831 ,
InChIKey SOXSMGAIQXLMOM-RHXCVHSBNA-O
InChICode InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)18(15)27)22-12(26)7-11-13(33-22)5-10(25)6-14(11)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19+,20-,21+,23+/m0/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaeGeranium Johnsons Blue Ref.
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OrganismGeranium Johnsons Blue
ReferenceMarkham,Phytochem.,45,(1997),417