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 c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O)O
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.
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OrganismIris spp.
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

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

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