(Q104397134)

English

Brevetoxin 2

group of stereoisomers with the chemical formula C₅₀H₇₀O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

894.47655692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₀H₇₀O₁₄

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canonical SMILES

O=CC(=C)CC1OC2CC3OC4C=CCC5(OC6CC7OC8C(OC9CC%10(OC%11C(=CC(=O)OC%11CC%10OC9CC8C)C)C)CCC7(OC6(C)CC5OC4CC3OC2(C)C(O)C1)C)C

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isomeric SMILES

C=C(C=O)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9CC(C)C8OC7CC6OC5(C)C/C=C\C4OC3CC2O1

1 reference

1 reference

Neuromuscular blocking action of two brevetoxins from the Florida red tide organism Ptychodiscus brevis

Karenia brevis

1 reference

stated in

Neuromuscular blocking action of two brevetoxins from the Florida red tide organism Ptychodiscus brevis

Identifiers

InChI

InChI=1S/C50H70O14/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/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-

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InChIKey

LYTCVQQGCSNFJU-KTKRTIGZSA-N

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1 reference

26 December 2021

1 reference

(Q104397134)

Brevetoxin 2

Statements

Identifiers

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