| Name |
Acacetin 7-rhamnosyl-(1->4'')[glucosyl-(1->6'')(6'''-acetylsophoroside)] |
| Formula |
C42H54O25 |
| Mw |
958.29541728 |
| CAS RN |
109517-74-0 |
| C_ID |
C00004213
, 
|
| InChIKey |
QOZYYIZALVCMCA-GBQGJZGPNA-N |
| InChICode |
InChI=1S/C42H54O25/c1-14-27(47)30(50)34(54)40(60-14)66-37-25(13-59-39-33(53)31(51)28(48)23(11-43)63-39)65-42(38(36(37)56)67-41-35(55)32(52)29(49)24(64-41)12-58-15(2)44)61-18-8-19(45)26-20(46)10-21(62-22(26)9-18)16-4-6-17(57-3)7-5-16/h4-10,14,23-25,27-43,45,47-56H,11-13H2,1-3H3/t14-,23+,24+,25+,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38?,39+,40-,41-,42+/m0/s1 |
| SMILES |
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)C(O)[C@H]5O)[C@@H](O[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)[C@H](O)C4O[C@@H]4OC(COC(C)=O)[C@@H](O)C(O)C4O)cc3o2)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Nitrariaceae | Peganum harmala  | Ref. |
|
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