input word = C00006671

Metabolite InformationStructural formula
Name Cyanidin 3-(2G-xylosylrutinoside)
Formula C32H39O19
Mw 727.20855407
CAS RN 38226-79-8
C_ID C00006671 ,
InChIKey ZSWXIMXLLJRVFT-LTILNNLINA-O
InChICode InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1/t10-,17-,20+,21-,22-,23+,24-,25-,26-,27-,29-,30+,31-,32-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O[C@@H]3OC[C@@H](O)C(O)[C@H]3O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia spp. Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeGrossulariaceaeRibes spp. Ref.
PlantaeRosaceaePrunus cerasus Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeSchisandraceaeKadsura japonica Ref.
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OrganismRibes spp.
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Harborne,Phytochem.,3,(1964),453

Ishikura,Chem.Abst.,77,(1972),58844