| Name |
Delphinidin 3-(6-malonylglucoside)-3',5'-di-(6-p-coumaroylglucoside)
Ternatin D3 |
| Formula |
C54H55O29 |
| Mw |
1167.2829008 |
| CAS RN |
215378-79-3 |
| C_ID |
C00014803
, 
|
| InChIKey |
KKECMUABAZRPGE-UTNKJKGZNA-O |
| InChICode |
InChI=1S/C54H54O29/c55-25-7-1-22(2-8-25)5-11-38(61)74-19-34-42(65)45(68)48(71)52(81-34)78-31-13-24(14-32(41(31)64)79-53-49(72)46(69)43(66)35(82-53)20-75-39(62)12-6-23-3-9-26(56)10-4-23)51-33(17-28-29(58)15-27(57)16-30(28)77-51)80-54-50(73)47(70)44(67)36(83-54)21-76-40(63)18-37(59)60/h1-17,34-36,42-50,52-54,65-73H,18-21H2,(H5-,55,56,57,58,59,60,61,62,64)/p+1/t34-,35+,36-,42-,43-,44-,45+,46+,47+,48-,49-,50-,52-,53-,54-/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)CC(=O)O)O)O)O)c1cc(c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)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)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Clitoria ternatea  | Ref. |
|
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