(Q82912547)

English

Phenyl hexopyranosiduronic acid

group of stereoisomers with the chemical formula C₁₂H₁₄O₇

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Statements

group of stereoisomers

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chemical compound

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270.07395278800004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₄O₇

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based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)C1OC(Oc2ccccc2)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C(O)[C@H]1OC(Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12?/m0/s1

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WVHAUDNUGBNUDZ-SDQGTYQYSA-N

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CAS Registry Number

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2 references

26 December 2021

matched by identifier from

WVHAUDNUGBNUDZ-SDQGTYQYSA-N

mapping relation type

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ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12?/m0/s1

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WVHAUDNUGBNUDZ-SDQGTYQYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

WVHAUDNUGBNUDZ-SDQGTYQYSA-N

DSSTOX compound identifier

DTXCID201364960

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Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WVHAUDNUGBNUDZ-SDQGTYQYSA-N

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