| Name |
Delphinidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside) |
| Formula |
C54H55O29 |
| Mw |
1167.2829008 |
| CAS RN |
176260-02-9 |
| C_ID |
C00006892
, 
|
| InChIKey |
OAPIPBIVTBWOOF-VJYCBSRCNA-O |
| InChICode |
InChI=1S/C54H54O29/c55-25-7-1-22(2-8-25)5-11-38(62)74-19-34-42(66)46(70)49(73)53(81-34)83-51-47(71)44(68)36(20-75-39(63)12-6-23-3-9-26(56)10-4-23)82-54(51)79-33-17-28-31(77-50(33)24-13-29(58)41(65)30(59)14-24)15-27(57)16-32(28)78-52-48(72)45(69)43(67)35(80-52)21-76-40(64)18-37(60)61/h1-17,34-36,42-49,51-54,66-73H,18-21H2,(H6-,55,56,57,58,59,60,61,62,63,65)/p+1/t34-,35+,36+,42-,43-,44-,45+,46+,47-,48-,49-,51+,52-,53+,54-/m1/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)C4O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)[C@H]4O)cc23)C(O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga reptans  | Ref. |
|
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