input word = C00061888

Metabolite InformationStructural formula
Name Pelargonidin 3-O-glucoside
Formula C21H21O10
Mw 433.11347189
CAS RN 47684-27-5
C_ID C00061888
InChIKey ABVCUBUIXWJYSE-GQUPQBGVSA-O
InChICode InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1
SMILES OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaePoaceaeTriticum aestivum Ref.
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OrganismPunica granatum
Referencehttps://doi.org/10.1007/s00217-013-1981-2

https://doi.org/10.1016/j.chroma.2016.12.017

https://doi.org/10.1021/acs.jafc.6b02950