| Name |
Brevetoxin A |
| Formula |
C49H70O13 |
| Mw |
866.48164232 |
| CAS RN |
98112-41-5 |
| C_ID |
C00042300
, 
|
| InChIKey |
MGVIMUPHKPHTKF-PMAMELDRNA-N |
| InChICode |
InChI=1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6-,14-8-/t26-,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40+,41-,42-,43+,44-,46+,47+,48+,49+/m1/s1 |
| SMILES |
C1=CC[C@@H]2[C@H](O[C@H]3[C@@H]1O[C@@]1([C@H](CCC3)O[C@H]3[C@@H](C1)O[C@@H]1[C@@H](C3)O[C@H](C[C@H]1O)CC(=C)C=O)C)C/C=C\C[C@@H]1[C@@H](O2)[C@@H](C[C@H]2[C@H](O1)C[C@@H]1[C@@](O2)(C[C@@H](C[C@H]2[C@H](O1)CC(=O)O2)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Karenia brevis | Ref. |
|
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