| Name |
Marruboside
(-)-Marruboside |
| Formula |
C39H52O23 |
| Mw |
888.28993797 |
| CAS RN |
444105-70-8 |
| C_ID |
C00036138
, 
|
| InChIKey |
SAXAVBJEDNTTOS-BTUHDWBANA-N |
| InChICode |
InChI=1S/C39H52O23/c40-13-38(53)15-57-36(32(38)50)56-12-25-30(61-26(46)6-3-17-1-4-20(42)22(44)9-17)19(27(47)35(60-25)55-8-7-18-2-5-21(43)23(45)10-18)11-24-31(28(48)29(49)34(52)59-24)62-37-33(51)39(54,14-41)16-58-37/h1-6,9-10,19,24-25,27-37,40-45,47-54H,7-8,11-16H2/b6-3+/t19-,24-,25-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)OCCc1cc(c(cc1)O)O)CO[C@@H]1OC[C@]([C@H]1O)(O)CO)OC(=O)/C=C/c1ccc(c(c1)O)O)C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Marrubium vulgare  | Ref. |
|
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