U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H10O6
Molecular Weight 190.1507
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DEHYDROQUINIC ACID

SMILES

O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C(O)=O

InChI

InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-N
InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H10O6
Molecular Weight 190.1507
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:35:27 GMT 2023
Edited
by admin
on Sat Dec 16 11:35:27 GMT 2023
Record UNII
Q8HL497GUU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-DEHYDROQUINIC ACID
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 1,3,4-TRIHYDROXY-5-OXO-, (1R,3R,4S)-
Systematic Name English
5-DEHYDROQUINIC ACID
Common Name English
(1R,3R,4S)-1,3,4-TRIHYDROXY-5-OXOCYCLOHEXANECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50909453
Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023
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CAS
10534-44-8
Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023
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PUBCHEM
439351
Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023
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CHEBI
17947
Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023
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FDA UNII
Q8HL497GUU
Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023
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DRUG BANK
DB03868
Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023
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WIKIPEDIA
3-Dehydroquinic acid
Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023
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