| Name |
Gymnoside IX |
| Formula |
C51H64O24 |
| Mw |
1060.37875298 |
| CAS RN |
898827-00-4 |
| C_ID |
C00030442
, 
|
| InChIKey |
CCZOYJFTCPEQLK-LNOGOCGKNA-N |
| InChICode |
InChI=1S/C51H64O24/c1-4-26(2)51(50(65)68-24-30-12-17-32(18-13-30)70-48-44(63)41(60)39(58)34(22-53)72-48,20-37(56)67-23-29-10-15-31(16-11-29)69-47-43(62)40(59)38(57)33(21-52)71-47)75-49-45(64)42(61)46(35(73-49)25-66-27(3)54)74-36(55)19-14-28-8-6-5-7-9-28/h5-19,26,33-35,38-49,52-53,57-64H,4,20-25H2,1-3H3/b19-14+/t26-,33-,34-,35-,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48-,49+,51+/m1/s1 |
| SMILES |
[C@@](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)/C=C/c1ccccc1)O)O)(C(=O)OCc1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(CC(=O)OCc1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C)CC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Orchidaceae | Gymnadenia conopsea R.BR. | Ref. |
|
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