| Name |
Marginatoside |
| Formula |
C33H40O20 |
| Mw |
756.21129372 |
| CAS RN |
66761-06-6 |
| C_ID |
C00006318
, 
|
| InChIKey |
SENLEPNWTIXIKP-LVZHOEHPNA-N |
| InChICode |
InChI=1S/C33H40O20/c34-7-16-21(39)25(43)28(46)32(52-16)49-9-18-23(41)26(44)29(47)33(53-18)48-8-17-22(40)24(42)27(45)31(51-17)20-13(37)5-12(36)19-14(38)6-15(50-30(19)20)10-1-3-11(35)4-2-10/h1-6,16-18,21-29,31-37,39-47H,7-9H2/t16-,17+,18-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31+,32-,33-/m1/s1 |
| SMILES |
O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@@H](CO[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(O)cc(O)c12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Piperaceae | Piper marginatum  | Ref. |
|
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