input word = C00006740

Metabolite InformationStructural formula
Name Malvidin 3-rutinoside
Formula C29H35O16
Mw 639.19251007
CAS RN 39824-82-3
C_ID C00006740 ,
InChIKey YCDMGCUGMVVWAB-GXXWKVMENA-O
InChICode InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(42-10)41-9-19-22(34)24(36)26(38)29(45-19)44-18-8-13-14(31)6-12(30)7-15(13)43-27(18)11-4-16(39-2)21(33)17(5-11)40-3/h4-8,10,19-20,22-26,28-29,32,34-38H,9H2,1-3H3,(H2-,30,31,33)/p+1/t10-,19+,20-,22+,23-,24-,25+,26+,28+,29+/m0/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis buxifolia Ref.
PlantaeBerberidaceaeBerberis fortunei Ref.
PlantaeBerberidaceaeBerberis thenocissus Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeIridaceaeIris spp. Ref.
PlantaeMusaceaeMusa acuminata Ref.
PlantaeMusaceaeMusa x paradisiaca Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismBerberis fortunei
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Pomilio,Phytochem.,12,(1973),218

Horry,Phytochem.,27,(1988),2667