| Name |
Rubelloside A
3-O-[beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranosyl]-quinovoic acid |
| Formula |
C42H66O14 |
| Mw |
794.44525682 |
| CAS RN |
167882-67-9 |
| C_ID |
C00036558
, 
|
| InChIKey |
IIIOQVDDEWZCEQ-LZUUNSBENA-N |
| InChICode |
InChI=1S/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)33(21(3)53-34)56-35-31(47)29(45)28(44)23(18-43)54-35/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21+,23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Mitragyna inermis  | Ref. |
|
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