input word = C00006797

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-malylglucoside)
Formula C25H25O15
Mw 565.11934513
CAS RN 104934-16-9
C_ID C00006797 ,
InChIKey ROSVQRYSFQBSRT-HMYOPSSCNA-O
InChICode InChI=1S/C25H24O15/c26-10-4-13(28)11-6-17(23(38-16(11)5-10)9-1-2-12(27)14(29)3-9)39-25-22(34)21(33)20(32)18(40-25)8-37-19(31)7-15(30)24(35)36/h1-6,15,18,20-22,25,30,32-34H,7-8H2,(H4-,26,27,28,29,35,36)/p+1/t15-,18+,20+,21+,22-,25+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC(=O)C[C@@H](C(=O)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeCaryophyllaceaeDianthus deltoides Ref.
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