input word = C00053092

Metabolite InformationStructural formula
Name Cyanidin 3-glucoside
Formula C21H21O11+
Mw 449.10838652
CAS RN 47705-70-4
C_ID C00053092
InChIKey RKWHWFONKJEUEF-GQUPQBGVSA-O
InChICode InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium spp. Ref.
PlantaeAraceaeColocasia esculenta Ref.
PlantaeLythraceaePunica granatum L. Ref.
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OrganismPunica granatum L.
ReferenceBen-Simhon, Z. et al., PLoS ONE, 10, (2015), e0142777.