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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O4
Molecular Weight 168.1467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDROXYPHENYLACETIC ACID

SMILES

OC(=O)CC1=CC(O)=C(O)C=C1

InChI

InChIKey=CFFZDZCDUFSOFZ-UHFFFAOYSA-N
InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H8O4
Molecular Weight 168.1467
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:22:20 UTC 2023
Edited
by admin
on Fri Dec 15 15:22:20 UTC 2023
Record UNII
KEX5N0R4N5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIHYDROXYPHENYLACETIC ACID
Systematic Name English
2-(3,4-DIHYDROXYPHENYL)ACETIC ACID
Systematic Name English
BENZENEACETIC ACID, 3,4-DIHYDROXY-
Systematic Name English
3,4-DIHYDROXYBENZENEACETIC ACID
Systematic Name English
(3,4-DIHYDROXYPHENYL)ACETIC ACID
Systematic Name English
HOMOPROTOCATECHUIC ACID
Common Name English
HMDB01336
Code English
DOPACETIC ACID
Common Name English
NSC-73191
Code English
DIHYDROXYPHENYLACETIC ACID
Systematic Name English
DOPAC
Common Name English
ACETIC ACID, (3,4-DIHYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
102-32-9
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
ECHA (EC/EINECS)
203-024-1
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
NSC
73191
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
WIKIPEDIA
3,4-Dihydroxyphenylacetic acid
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
CHEBI
41941
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
DRUG BANK
DB01702
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID9074430
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
FDA UNII
KEX5N0R4N5
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
PUBCHEM
547
Created by admin on Fri Dec 15 15:22:20 UTC 2023 , Edited by admin on Fri Dec 15 15:22:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Excretion of 3,4-Dihydroxyphenylacetic acid in the urine of human subjects (n=6, 0-24hr total) after rutin (176 micromoles) supplemented tomato juice; Unit: micromoles
IN-VIVO
URINE
PARENT -> METABOLITE
PLASMA; URINE