| Name |
Vaccaroside F |
| Formula |
C65H102O33 |
| Mw |
1410.63033579 |
| CAS RN |
211508-51-9 |
| C_ID |
C00044369
, 
|
| InChIKey |
DDFFZNFTWJEAGC-FVQKIUGJNA-N |
| InChICode |
InChI=1S/C65H102O33/c1-23-46(93-53-42(78)35(71)28(69)22-86-53)41(77)45(81)54(87-23)97-51-50(96-55-43(79)37(73)30(21-67)91-55)47(89-25(3)68)24(2)88-58(51)98-59(84)65-17-16-60(4,5)18-27(65)26-10-11-31-61(6)14-13-34(64(9,85)32(61)12-15-62(31,7)63(26,8)19-33(65)70)92-57-49(40(76)39(75)48(94-57)52(82)83)95-56-44(80)38(74)36(72)29(20-66)90-56/h10,23-24,27-51,53-58,66-67,69-81,85H,11-22H2,1-9H3,(H,82,83)/t23-,24+,27-,28+,29+,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42+,43-,44+,45+,46-,47-,48-,49+,50-,51+,53-,54-,55-,56-,57+,58-,61+,62+,63+,64-,65+/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)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([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)O)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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