(Q83154402)

English

FSMUAGDFEVNJFQ-VQNOXUECSA-N

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

909.3796368200002 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₈H₅₅N₅O₁₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(=C\NNC2=CC=C(Oc3ccccc3)NN2)/C(=N/C(=O)C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(=C\NNC2=CC=C(Oc3ccccc3)NN2)/C(=N/C(=O)C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C48H55N5O13/c1-23-14-13-15-24(2)47(61)50-38-31(22-49-51-33-18-19-34(53-52-33)65-30-16-11-10-12-17-30)42(58)35-36(43(38)59)41(57)28(6)45-37(35)46(60)48(8,66-45)63-21-20-32(62-9)25(3)44(64-29(7)54)27(5)40(56)26(4)39(23)55/h10-23,25-27,32,39-40,44,49,51-53,55-57H,1-9H3/b14-13+,21-20+,24-15?,31-22-,50-38-

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InChIKey

FSMUAGDFEVNJFQ-VQNOXUECSA-N

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DSSTOX compound identifier

DTXCID70664532

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NSC number

146734

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(Q83154402)

FSMUAGDFEVNJFQ-VQNOXUECSA-N

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