| Name |
Delphinidin 3-[2-(6-(feruloylglucoside)-6-feruloylglucoside]-5-(6-malonylglucoside) |
| Formula |
C56H59O31 |
| Mw |
1227.30403017 |
| CAS RN |
379232-04-9 |
| C_ID |
C00014787
, 
|
| InChIKey |
LLPGJSHOOSZIFB-TYYGAUSONA-O |
| InChICode |
InChI=1S/C56H58O31/c1-76-33-11-22(3-7-27(33)58)5-9-40(64)78-19-36-44(68)48(72)51(75)55(85-36)87-53-49(73)46(70)38(20-79-41(65)10-6-23-4-8-28(59)34(12-23)77-2)86-56(53)83-35-17-26-31(81-52(35)24-13-29(60)43(67)30(61)14-24)15-25(57)16-32(26)82-54-50(74)47(71)45(69)37(84-54)21-80-42(66)18-39(62)63/h3-17,36-38,44-51,53-56,68-75H,18-21H2,1-2H3,(H6-,57,58,59,60,61,62,63,64,65,67)/p+1/t36-,37+,38+,44+,45+,46+,47+,48+,49+,50+,51-,53-,54-,55+,56-/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(c(c1)OC)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)O)c1cc(c(c(c1)O)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)COC(=O)CC(=O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga reptans  | Ref. |
|
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