| Name |
Delphinidin 3-(diferuloyl)sophoroside-5-glucoside |
| Formula |
C53H57O28 |
| Mw |
1141.30363624 |
| CAS RN |
379232-06-1 |
| C_ID |
C00014817
, 
|
| InChIKey |
ODYACVLCHZXDNX-MWSDLSBZNA-O |
| InChICode |
InChI=1S/C53H56O28/c1-71-32-11-21(3-7-26(32)56)5-9-38(60)73-19-36-42(64)45(67)48(70)52(79-36)81-50-46(68)43(65)37(20-74-39(61)10-6-22-4-8-27(57)33(12-22)72-2)80-53(50)77-34-17-25-30(75-49(34)23-13-28(58)40(62)29(59)14-23)15-24(55)16-31(25)76-51-47(69)44(66)41(63)35(18-54)78-51/h3-17,35-37,41-48,50-54,63-70H,18-20H2,1-2H3,(H5-,55,56,57,58,59,60,61,62)/p+1/t35-,36-,37+,41-,42-,43-,44+,45+,46+,47+,48+,50+,51-,52+,53-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](OC3[C@H](Oc4cc5c(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)cc(O)cc5[o+]c4-c4cc(O)c(O)c(O)c4)OC(COC(=O)/C=C/c4ccc(O)c(OC)c4)[C@@H](O)[C@@H]3O)C(O)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga reptans  | Ref. |
|
|
zoom in
| Organism | Ajuga reptans |
|---|
| Reference | Terahara,Phytochem.,58,(2001),493 |
|---|
|
