(Q82893086)

English

3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hexopyranosiduronic acid

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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356.11073222 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₀O₉

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)Oc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cccc2C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)Oc2c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cccc2C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C16H20O9/c1-16(2)13(20)6-4-3-5-7(11(6)25-16)23-15-10(19)8(17)9(18)12(24-15)14(21)22/h3-5,8-10,12-13,15,17-20H,1-2H3,(H,21,22)/t8-,9-,10+,12-,13?,15+/m0/s1

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FYXZBKHZVRPLJK-WOXUVOGXSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID801349297

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