| Name |
Monodemalonylsalviadelphin
Delphinidin 3-[6-(caffeoylglucoside)]-5-[6-(malonylglucoside)] |
| Formula |
C39H39O23 |
| Mw |
875.18821256 |
| CAS RN |
128508-46-3,144607-77-2 |
| C_ID |
C00006887
, 
|
| InChIKey |
BRCDVDQOVIAQRF-VNTADHSJNA-O |
| InChICode |
InChI=1S/C39H38O23/c40-16-8-22-17(23(9-16)59-38-35(54)33(52)32(51)26(61-38)13-57-29(48)11-27(45)46)10-24(37(58-22)15-6-20(43)30(49)21(44)7-15)60-39-36(55)34(53)31(50)25(62-39)12-56-28(47)4-2-14-1-3-18(41)19(42)5-14/h1-10,25-26,31-36,38-39,50-55H,11-13H2,(H6-,40,41,42,43,44,45,46,47,49)/p+1/t25-,26+,31-,32-,33+,34-,35+,36-,38-,39-/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)c(O)c5)[C@@H](O)C(O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Hyacinthaceae | Hyacinthus orientalis | Ref. |
| Plantae | Labiatae | Ajuga genevensis | Ref. |
| Plantae | Labiatae | Dracocephalum wilsonii | Ref. |
| Plantae | Labiatae | Salvia splendens | Ref. |
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