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| Chemical manufacturer | ||||
| Name | Brevetoxin 3 |
|---|---|
| Synonyms | Pbtx 3; Ptychodiscus Brevis Toxin 3; T 17 |
| Molecular Structure |  |
| Molecular Formula | C50H72O14 |
| Molecular Weight | 897.11 |
| CAS Registry Number | 85079-48-7 |
| SMILES | C(C%11OC%10CC9OC\2C(OC1CC3(C)C(OC1(C)C\C=C2)CC4C(O3)(C)CCC5C(O4)C(C)CC6C(O5)CC7(C(O6)CC8C(O7)C(=CC(O8)=O)C)C)CC9OC%10(C)C(O)C%11)C(CO)=C |
| InChI | 1S/C50H72O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,26,28-42,44-45,51-52H,1,11-15,17-24H2,2-8H3/b10-9- |
| InChIKey | BKMHDYJRAAJTAD-KTKRTIGZSA-N |
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| List of Reports Available for Brevetoxin 3 |