input word = C00006720

Metabolite InformationStructural formula
Name Petunidin 3-arabinoside
Petunidin-3-O-arabinoside
Formula C21H21O11.Cl
Mw 484.07723923
CAS RN 28500-03-0
C_ID C00006720 ,
InChIKey XYWFSSFJPFAYCA-QCEPJGKMNA-O
InChICode InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18+,19-,21-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)C(O)C2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeEmpetrum nigrum Ref.
PlantaeEricaceaeGaylussacia spp. Ref.
PlantaeEricaceaeVaccinium arboreum Ref.
PlantaeEricaceaeVaccinium corymbosum Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeEricaceaeVaccinium spp. Ref.
PlantaeLythraceaeLagerstroemia indica Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
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OrganismMorus alba
Referencehttps://doi.org/10.1016/j.foodres.2017.06.052