| Name |
Ballotetroside |
| Formula |
C39H52O23 |
| Mw |
888.28993797 |
| CAS RN |
188441-89-6 |
| C_ID |
C00036042
, 
|
| InChIKey |
XLDOANLTPPTGQN-WHAQVAPANA-N |
| InChICode |
InChI=1S/C39H52O23/c40-14-39(54)15-58-38(34(39)52)57-13-25-32(61-26(46)6-3-16-1-4-19(41)21(43)9-16)18(27(47)36(60-25)55-8-7-17-2-5-20(42)22(44)10-17)11-24-33(29(49)30(50)35(53)59-24)62-37-31(51)28(48)23(45)12-56-37/h1-6,9-10,18,23-25,27-38,40-45,47-54H,7-8,11-15H2/b6-3+/t18-,23+,24+,25-,27-,28+,29-,30-,31-,32+,33-,34+,35-,36-,37+,38-,39-/m1/s1 |
| SMILES |
O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OCCc1ccc(c(c1)O)O)O)C[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)CO[C@@H]1OC[C@@]([C@H]1O)(CO)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Marrubium vulgare  | Ref. |
|
|
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