(Q82989300)

English

1-O-(1-Hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbonyl)hexopyranose

group of stereoisomers with the chemical formula C₁₆H₂₄O₉

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Statements

group of stereoisomers

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chemical compound

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360.14203234799993 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₄O₉

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2C(C(=O)OC3OC(CO)C(O)C(O)C3O)=COC(O)C12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1CCC2C(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=COC(O)C12

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C16H24O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20,22H,2-4H2,1H3/t6?,7?,9-,10?,11-,12+,13-,15?,16+/m1/s1

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KKDBVOQTVWSMIV-WUBGXZNDSA-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

DTXCID001424257

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