input word = C00006901

Metabolite InformationStructural formula
Name Malvidin 3-(6''-acetylglucoside)
Formula C25H27O13
Mw 535.14516595
CAS RN 101072-66-6,114051-26-2,122798-00-9
C_ID C00006901 ,
InChIKey WGYWEDJQQFKGID-WIFBJIRDNA-O
InChICode InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1/t19-,21+,22-,23-,25-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(COC(C)=O)[C@@H](O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
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