| Name |
Acetylmalonylawobanin
Delphinidin 3-O-[6-O-(p-coumaroyl)-beta-D-glucopyranoside]-5-O-[4-O-acetyl-6-O-malonyl-beta-D-glucopyranoside] |
| Formula |
C41H41O23 |
| Mw |
901.20386262 |
| CAS RN |
250344-52-6 |
| C_ID |
C00011082
, 
|
| InChIKey |
DBWMGCIKSXJMRD-NLCBTOOINA-O |
| InChICode |
InChI=1S/C41H40O23/c1-16(42)59-39-28(15-58-31(50)13-29(47)48)64-41(37(56)35(39)54)61-25-11-20(44)10-24-21(25)12-26(38(60-24)18-8-22(45)32(51)23(46)9-18)62-40-36(55)34(53)33(52)27(63-40)14-57-30(49)7-4-17-2-5-19(43)6-3-17/h2-12,27-28,33-37,39-41,52-56H,13-15H2,1H3,(H5-,43,44,45,46,47,48,49,51)/p+1/t27-,28+,33+,34-,35-,36-,37-,39+,40-,41-/m1/s1 |
| SMILES |
CC(=O)O[C@@H]1C(COC(=O)CC(=O)O)O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)C4O)cc23)C(O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Salvia uliginosa | Ref. |
|
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