| 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@H]1(CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@]([C@@]1(CC2)C(=O)O)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)C(=O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Mitragyna inermis  | Ref. |
|
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