| Name |
Delphinidin 3-glucoside-5-(6-caffeoylglucoside)-3'-(6-(E)-p-coumaroylglucoside) |
| Formula |
C51H53O27 |
| Mw |
1097.27742149 |
| CAS RN |
198645-14-6 |
| C_ID |
C00014819
, 
|
| InChIKey |
NGHBISJTUIJEBT-VCTRNKRWNA-O |
| InChICode |
InChI=1S/C51H52O27/c52-17-33-39(61)42(64)45(67)51(76-33)75-32-16-25-29(14-24(54)15-30(25)73-49-46(68)43(65)40(62)34(77-49)18-71-37(59)10-5-21-3-8-26(55)27(56)11-21)72-48(32)22-12-28(57)38(60)31(13-22)74-50-47(69)44(66)41(63)35(78-50)19-70-36(58)9-4-20-1-6-23(53)7-2-20/h1-16,33-35,39-47,49-52,61-69H,17-19H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46+,47+,49-,50-,51-/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)c1cc(c(c(c1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana spp. | Ref. |
|
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