input word = C00011069

Metabolite InformationStructural formula
Name Cyanidin 3-O-(2''-O-galloyl-6''-O-alpha-rhamnopyranosyl-beta-galactopyranoside
Formula C34H35O19
Mw 747.17725394
CAS RN 637775-65-6
C_ID C00011069 ,
InChIKey JXHSTLRCBJYSKK-HHTAULJINA-O
InChICode InChI=1S/C34H34O19/c1-11-24(41)27(44)29(46)33(49-11)48-10-23-26(43)28(45)31(53-32(47)13-5-19(39)25(42)20(40)6-13)34(52-23)51-22-9-15-17(37)7-14(35)8-21(15)50-30(22)12-2-3-16(36)18(38)4-12/h2-9,11,23-24,26-29,31,33-34,41,43-46H,10H2,1H3,(H6-,35,36,37,38,39,40,42,47)/p+1/t11-,23-,24+,26+,27+,28+,29+,31-,33+,34-/m1/s1
SMILES c1(c2c(cc(c1)O)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAcalypha hispida Ref.
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OrganismAcalypha hispida
ReferenceReiersen,Phytochem.,64,(2003),867