| Name |
Dinophysistoxin 1 |
| Formula |
C45H70O13 |
| Mw |
818.48164232 |
| CAS RN |
81720-10-7 |
| C_ID |
C00044717
, 
|
| InChIKey |
CLBIEZBAENPDFY-BWKYUWPCNA-N |
| InChICode |
InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40+,42-,43-,44-,45-/m1/s1 |
| SMILES |
[C@H]1(CCCO[C@@]21O[C@@H]([C@@H](CC2)C)[C@H](C[C@@H]([C@@H]1C(=C)[C@H]([C@@H]2[C@H](O1)CC[C@]1(O2)CC[C@@H](O1)/C=C/[C@H]([C@H]1O[C@@]2(C=C(C1)C)O[C@@H](CC[C@H]2O)C[C@](O)(C)C(=O)O)C)O)O)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Merriamum oxeato | Ref. |
|
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