(Q118261282)

English

FOGGGQRQDXLSPR-PQYSJWOTSA-N

group of stereoisomers with the chemical formula C₃₅H₄₄Cl₂N₂O₁₅

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Statements

group of stereoisomers

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chemical compound

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802.211874068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₄Cl₂N₂O₁₅

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canonical SMILES

O=C(C=CC=CC=CC=CC=C(Cl)C=C(Cl)C)C=1C(=O)C(N(C1O)C2OCC(O)C(O)C2OC3OCC(OC4OC(C)C(O)C4O)C(O)C3O)CC(=O)N

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isomeric SMILES

C/C(Cl)=C\C(Cl)=C\C=C\C=C\C=C\C=C\C(=O)C1=C(O)N(C2OC[C@@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](CC(N)=O)C1=O

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1 reference

Aurantosides A and B: cytotoxic tetramic acid glycosides from the marine sponge Theonella sp

Identifiers

InChI=1S/C35H44Cl2N2O15/c1-16(36)12-18(37)10-8-6-4-3-5-7-9-11-20(40)24-26(44)19(13-23(38)42)39(32(24)49)33-31(27(45)21(41)14-50-33)54-34-30(48)28(46)22(15-51-34)53-35-29(47)25(43)17(2)52-35/h3-12,17,19,21-22,25,27-31,33-35,41,43,45-49H,13-15H2,1-2H3,(H2,38,42)/b4-3+,7-5+,8-6+,11-9+,16-12+,18-10-/t17-,19+,21-,22-,25-,27-,28+,29+,30+,31+,33?,34+,35+/m1/s1

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FOGGGQRQDXLSPR-PQYSJWOTSA-N

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1 reference

10 May 2023

based on heuristic

inferred from InChIKey

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