input word = C00011343

Metabolite InformationStructural formula
Name Malvidin 3-glucoside-5-(2''-sulfatoglucoside)
Formula C29H35O20S
Mw 735.14423929
CAS RN 160206-01-9
C_ID C00011343 ,
InChIKey WIVYCQCHGSRGGN-CATMHISWNA-O
InChICode InChI=1S/C29H34O20S/c1-42-15-3-10(4-16(43-2)20(15)33)26-17(46-28-25(38)23(36)21(34)18(8-30)47-28)7-12-13(44-26)5-11(32)6-14(12)45-29-27(49-50(39,40)41)24(37)22(35)19(9-31)48-29/h3-7,18-19,21-25,27-31,34-38H,8-9H2,1-2H3,(H2-,32,33,39,40,41)/p+1/t18-,19+,21-,22-,23-,24+,25-,27-,28-,29-/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)CO)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeBabiana stricta Ref.
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OrganismBabiana stricta
ReferenceToki,Phytochem.,37,(1994),885