| Name |
Vaccaroside G |
| Formula |
C66H102O32 |
| Mw |
1406.63542117 |
| CAS RN |
211508-52-0 |
| C_ID |
C00044370
, 
|
| InChIKey |
PMJVTIFXFFXIPK-WDKGERELNA-N |
| InChICode |
InChI=1S/C66H102O32/c1-25-47(93-54-43(79)36(72)30(71)23-86-54)42(78)46(82)55(87-25)97-52-51(96-56-44(80)38(74)32(22-68)91-56)48(89-27(3)70)26(2)88-59(52)98-60(85)66-18-16-61(4,5)20-29(66)28-10-11-34-62(6)14-13-35(63(7,24-69)33(62)12-15-65(34,9)64(28,8)17-19-66)92-58-50(41(77)40(76)49(94-58)53(83)84)95-57-45(81)39(75)37(73)31(21-67)90-57/h10,24-26,29-52,54-59,67-68,71-82H,11-23H2,1-9H3,(H,83,84)/t25-,26+,29-,30+,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43+,44-,45+,46+,47-,48-,49-,50+,51-,52+,54-,55-,56-,57-,58+,59-,62+,63-,64+,65+,66-/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O[C@H]1CC[C@@]2([C@H]([C@]1(C)C=O)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)C)C)C)C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Vaccaria segetalis  | Ref. |
|
|
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