| Name |
Isoorientin 4'-O-glucoside-2''-(4-glucosylcaffeate) |
| Formula |
C42H46O24 |
| Mw |
934.2379024 |
| CAS RN |
57186-28-4 |
| C_ID |
C00006338
, 
|
| InChIKey |
CKZPTYSVTXQMIY-WJMZIWJWNA-N |
| InChICode |
InChI=1S/C42H46O24/c43-11-24-32(53)36(57)40(66-27(50)6-2-14-1-4-20(16(46)7-14)62-41-37(58)34(55)30(51)25(12-44)64-41)39(61-24)29-19(49)10-23-28(33(29)54)18(48)9-22(60-23)15-3-5-21(17(47)8-15)63-42-38(59)35(56)31(52)26(13-45)65-42/h1-10,24-26,30-32,34-47,49,51-59H,11-13H2/b6-2+/t24-,25+,26+,30+,31+,32+,34+,35-,36-,37-,38+,39-,40+,41+,42+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)c(O)c1)OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1c1c(O)cc2oc(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c3)cc(=O)c2c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana burseri | Ref. |
|
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