(Q104911019)

English

(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl (3R,4'S,6'S,7'R)-6-bromo-2,4',12',14'-tetrahydroxy-4'-methyl-2',9',11',13'-tetraazaspiro[indole-3,5'-tricyclo[8.4.0.0³,⁷]tetradecane]-1'(14'),2',10',12'-tetraene-6'-carboxylate

chemical compound

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2,3,4,5,6-Pentahydroxycyclohexyl 6'-bromo-2,2',4,6-tetrahydroxy-6-methyl-8,8a,9,10-tetrahydro-6H-spiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7,3'-indole]-8-carboxylate

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based on heuristic

inferred from SMILES

mass

651.081218752 dalton

1 reference

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C₂₅H₂₆BrN₅O₁₁

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canonical SMILES

CC1(O)C2=Nc3c(O)nc(O)nc3NCC2C(C(=O)OC2C(O)C(O)C(O)C(O)C2O)C12C(=O)Nc1cc(Br)ccc12

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isomeric SMILES

C[C@@]1(O)C2=Nc3c(O)nc(O)nc3NC[C@H]2[C@H](C(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@]12C(=O)Nc1cc(Br)ccc12

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found in taxon

Babylonia japonica

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stated in

Isolation of a new toxin, prosurugatoxin, from the toxic Japanese ivory shell, Babylonia japonica

Identifiers

InChI

InChI=1S/C25H26BrN5O11/c1-24(41)18-7(5-27-19-11(29-18)20(37)31-23(40)30-19)10(25(24)8-3-2-6(26)4-9(8)28-22(25)39)21(38)42-17-15(35)13(33)12(32)14(34)16(17)36/h2-4,7,10,12-17,32-36,41H,5H2,1H3,(H,28,39)(H3,27,30,31,37,40)/t7-,10+,12-,13-,14-,15+,16-,17-,24+,25+/m0/s1

(Q104911019)

(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl (3R,4'S,6'S,7'R)-6-bromo-2,4',12',14'-tetrahydroxy-4'-methyl-2',9',11',13'-tetraazaspiro[indole-3,5'-tricyclo[8.4.0.0³,⁷]tetradecane]-1'(14'),2',10',12'-tetraene-6'-carboxylate

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