| Name |
Malvidin 3-(6''-p-coumarylglucoside)-5-dimalonylglucoside |
| Formula |
C44H45O25 |
| Mw |
973.22499199 |
| CAS RN |
144940-57-8,144993-57-7 |
| C_ID |
C00006912
, 
|
| InChIKey |
WLRHEJRFVKWTOH-UCYWKYEKNA-O |
| InChICode |
InChI=1S/C44H44O25/c1-60-25-9-19(10-26(61-2)35(25)54)41-27(66-43-39(58)37(56)36(55)28(67-43)16-62-32(51)8-5-18-3-6-20(45)7-4-18)13-22-23(64-41)11-21(46)12-24(22)65-44-40(59)38(57)42(69-34(53)15-31(49)50)29(68-44)17-63-33(52)14-30(47)48/h3-13,28-29,36-40,42-44,55-59H,14-17H2,1-2H3,(H4-,45,46,47,48,49,50,51,54)/p+1/t28-,29-,36+,37+,38-,39-,40-,42+,43-,44-/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(cc1)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)O)OC(=O)CC(=O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Hyssopus officinalis  | Ref. |
| Plantae | Labiatae | Lavandula stoechas | Ref. |
| Plantae | Labiatae | Salvia spp. | Ref. |
|
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