1.0 2010-04-08 22:09:42 UTC 2019-11-26 03:05:03 UTC FDB011539 Pectenotoxin 2 From Dinophysis acuminata. Shellfish toxin. Pectenotoxin 2 is found in mollusks. 43-Dioxy-pectenotoxin 43-Dioxypectenotoxin Pectenotoxin 2 Pectenotoxin II Pectenotoxin, 43-dioxy- C47H70O14 859.0503 858.476556948 97564-91-5 CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(C)CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)O4)C1O InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+ PTKFEDGHUVZLPL-UGXWGHHOSA-N average_mass 859.0503 ChemAxon mono_mass 858.476556948 ChemAxon smiles CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(C)CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)O4)C1O ChemAxon formula C47H70O14 ChemAxon inchi InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+ ChemAxon inchikey PTKFEDGHUVZLPL-UGXWGHHOSA-N ChemAxon HMDB33491 #<Reference:0x000055ce32cf6970> Mollusks Unknown generic 6447