input word = C00007655

Metabolite InformationStructural formula
Name Cyanidin 3-O-[2''-O-(xylosyl) glucoside] 5-O-(6'''-O-malonyl) glucoside
Formula C35H41O23
Mw 829.20386262
CAS RN
C_ID C00007655 ,
InChIKey CVAUKYVPQCYVDV-VRIRNIQJNA-O
InChICode InChI=1S/C35H40O23/c36-8-20-25(45)28(48)32(58-33-29(49)24(44)16(40)9-52-33)35(56-20)55-19-6-13-17(53-31(19)11-1-2-14(38)15(39)3-11)4-12(37)5-18(13)54-34-30(50)27(47)26(46)21(57-34)10-51-23(43)7-22(41)42/h1-6,16,20-21,24-30,32-36,40,44-50H,7-10H2,(H3-,37,38,39,41,42)/p+1/t16-,20-,21-,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]1O[C@@H]([C@H]([C@@H](O)[C@@H]1O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)O)CO)c1ccc(c(c1)O)O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)COC(=O)CC(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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