input word = C00006744

Metabolite InformationStructural formula
Name Malvidin 3-sophoroside-5-glucoside
Formula C35H45O22
Mw 817.24024813
CAS RN 61811-04-9
C_ID C00006744 ,
InChIKey MUOOTWYWWLJAQU-JPVAUMLHNA-O
InChICode InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40)/p+1/t19-,20-,21-,23-,24-,25-,26+,27+,28-,29+,30-,32-,33-,34+,35-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)OC)O)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum americanum Ref.
PlantaeVitaceaeVitis flexuosa Ref.
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OrganismSolanum americanum
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Ishikura,Kumamoto J.Sci.Biol.,13,(1976),7

Bobbio,Acta Aliment.,16,(1987),155