input word = C00006654

Metabolite InformationStructural formula
Name Cyanidin 4'-glucoside
Formula C21H21O11
Mw 449.10838652
CAS RN 802884-14-6
C_ID C00006654 ,
InChIKey CSNMEDJMOXSNRZ-DNLILFCWNA-O
InChICode InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18-,19+,21-/m1/s1
SMILES OCC1O[C@@H](Oc2ccc(-c3[o+]c4cc(O)cc(O)c4cc3O)cc2O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeMalvaceaeAbelmoschus esculentus Ref.
PlantaeMalvaceaeHibiscus esculentus Ref.
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OrganismHibiscus esculentus
ReferenceWillstatter, R. et al., Annalen, 1913, 401, 189-232 (isol)