(Q82881493)

English

Passisuberosin

group of stereoisomers with the chemical formula C₁₂H₁₇NO₈

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Statements

group of stereoisomers

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chemical compound

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303.095416504 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₂H₁₇NO₈

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canonical SMILES

N#CC1(OC2OC(CO)C(O)C(O)C2O)CC(O)C3OC31

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isomeric SMILES

N#CC1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(O)C2OC21

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Identifiers

InChI=1S/C12H17NO8/c13-3-12(1-4(15)9-10(12)20-9)21-11-8(18)7(17)6(16)5(2-14)19-11/h4-11,14-18H,1-2H2/t4?,5-,6-,7+,8-,9?,10?,11+,12?/m1/s1

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CDFHUZRDGPRGDK-LOUUASQKSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID001340415

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