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 O=C(CC(O)C(=O)O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeCaryophyllaceaeDianthus deltoides Ref.
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