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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 VANILLIC ACID

SMILES

COC1=CC(=CC=C1O)C(O)=O

InChI

InChIKey=WKOLLVMJNQIZCI-UHFFFAOYSA-N
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)

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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:43:55 UTC 2023
Edited
by admin
on Fri Dec 15 19:43:55 UTC 2023
Record UNII
GM8Q3JM2Y8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VANILLIC ACID
MI  
Systematic Name English
NSC-674322
Code English
M-METHOXY-P-HYDROXY-BENZOIC ACID
Common Name English
VANILLIC ACID [MI]
Common Name English
VANILLIC ACID [INCI]
Common Name English
FEMA NO. 3988
Code English
VA
Common Name English
BENZOIC ACID, 4-HYDROXY-3-METHOXY-
Common Name English
4-HYDROXY-3-METHOXYBENZOIC ACID
FHFI  
Systematic Name English
2-METHOXY-4-CARBOXYPHENOL
Systematic Name English
3-METHOXY-4-HYDROXYBENZOIC ACID
Systematic Name English
DROXIDOPA METABOLITE (VA)
Common Name English
4-HYDROXY-3-METHOXYBENZOIC ACID [FHFI]
Common Name English
NSC-3987
Code English
Code System Code Type Description
CHEBI
30816
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID6059522
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
PUBCHEM
8468
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
EVMPD
SUB129304
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
FDA UNII
GM8Q3JM2Y8
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
NSC
674322
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
JECFA MONOGRAPH
892
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
NSC
3987
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
SMS_ID
100000155284
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
MERCK INDEX
m11389
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB02130
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
WIKIPEDIA
VANILLIC ACID
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
CAS
121-34-6
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-466-8
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
Related Record Type Details
CENTAURIUM ERYTHRAEA WHOLE
PARENT -> CONSTITUENT ALWAYS PRESENT
MENYANTHES TRIFOLIATA LEAF
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
Structure of CAPSAICIN
PARENT -> METABOLITE
In incubation medium and skin vanillic acid ranged from 0.11 to 7.97% of the radioactivity in each sample at all concentrations.
SKIN
Structure of DROXIDOPA
PARENT -> METABOLITE
NIH
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