input word = C00033741

Metabolite InformationStructural formula
Name Cyanidin 3-O-(2-O-beta-xylopyranosyl-6-O-(E)-p-coumaroyl)-beta-galactopyranoside
Formula C35H35O17
Mw 727.1874247
CAS RN 1104327-85-6
C_ID C00033741 ,
InChIKey KMIJRKZNTFVLAI-RRSFOGIGNA-O
InChICode InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/p+1/t23-,26-,28+,29+,30+,31-,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)COC(=O)/C=C/c1ccc(cc1)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia reticulata Ref.
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