input word = C00011344

Metabolite InformationStructural formula
Name Malvidin 3-glucoside-5-(6'''-malonyl-2'''-sulfatoglucoside)
Formula C32H37O23S
Mw 821.14463322
CAS RN 160206-03-1
C_ID C00011344 ,
InChIKey MFGOCOAPGVWNGS-VRQHJDQMNA-O
InChICode InChI=1S/C32H36O23S/c1-47-16-3-11(4-17(48-2)23(16)38)29-18(52-31-28(43)26(41)24(39)19(9-33)53-31)7-13-14(50-29)5-12(34)6-15(13)51-32-30(55-56(44,45)46)27(42)25(40)20(54-32)10-49-22(37)8-21(35)36/h3-7,19-20,24-28,30-33,39-43H,8-10H2,1-2H3,(H3-,34,35,36,38,44,45,46)/p+1/t19-,20-,24+,25+,26+,27+,28-,30+,31-,32-/m1/s1
SMILES c1(c2c(cc(c1)O)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)OC)O)OC)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)O)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeBabiana stricta Ref.
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