input word = C00014761

Metabolite InformationStructural formula
Name Cyanidin 3-(2,3-di-galloylglucoside)
Formula C35H29O19
Mw 753.13030375
CAS RN 259254-15-4
C_ID C00014761 ,
InChIKey AQZBYUZKEFENRX-FEZONYMPNA-O
InChICode InChI=1S/C35H28O19/c36-11-26-29(47)31(53-33(48)13-4-20(41)27(45)21(42)5-13)32(54-34(49)14-6-22(43)28(46)23(44)7-14)35(52-26)51-25-10-16-18(39)8-15(37)9-24(16)50-30(25)12-1-2-17(38)19(40)3-12/h1-10,26,29,31-32,35-36,47H,11H2,(H9-,37,38,39,40,41,42,43,44,45,46,48,49)/p+1/t26-,29-,31+,32-,35-/m1/s1
SMILES O=C(OC1[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)OC(CO)[C@@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer platanoides Ref.
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