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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-10-01 18:03:14 UTC

Update Date

2021-10-01 18:03:14 UTC

HMDB ID

HMDB0304941

Secondary Accession Numbers

None

Metabolite Identification

Common Name

3-Amino-4-hydroxybenzoic acid

Description

3-Amino-4-hydroxybenzoic acid, also known as 3,4-ahba or cheetan, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. 3-Amino-4-hydroxybenzoic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on 3-Amino-4-hydroxybenzoic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View Stereo Labels

Synonyms

Value	Source
3,4-AHBA	ChEBI
3-Amino-4-hydroxybenzoate	Generator
Cheetan	HMDB

Chemical Formula

C₇H₇NO₃

Average Molecular Weight

153.137

Monoisotopic Molecular Weight

153.042593089

IUPAC Name

3-amino-4-hydroxybenzoic acid

Traditional Name

cheetan

CAS Registry Number

Not Available

SMILES

NC1=C(O)C=CC(=C1)C(O)=O

InChI Identifier

InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)

InChI Key

MRBKRZAPGUCWOS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Hydroxybenzoic acid derivatives

Alternative Parents

Substituents

Aminobenzoic acid
Aminobenzoic acid or derivatives
Hydroxybenzoic acid
Benzoic acid
O-aminophenol
Aminophenol
Benzoyl
Aniline or substituted anilines
1-hydroxy-2-unsubstituted benzenoid
Phenol
Amino acid or derivatives
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organonitrogen compound
Hydrocarbon derivative
Amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Primary amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monohydroxybenzoic acid (CHEBI:29476 )
aminobenzoic acid (CHEBI:29476 )

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.67	ALOGPS
logP	0.35	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	5.09	ChemAxon
pKa (Strongest Basic)	3.38	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	83.55 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	40 m³·mol⁻¹	ChemAxon
Polarizability	14.32 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	133.203	32859911
AllCCS	[M+H-H2O]+	128.698	32859911
AllCCS	[M+Na]+	138.614	32859911
AllCCS	[M+NH4]+	137.403	32859911
AllCCS	[M-H]-	127.99	32859911
AllCCS	[M+Na-2H]-	129.303	32859911
AllCCS	[M+HCOO]-	130.804	32859911
DeepCCS	[M+H]+	128.944	30932474
DeepCCS	[M-H]-	125.116	30932474
DeepCCS	[M-2H]-	162.481	30932474
DeepCCS	[M+Na]+	137.959	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N	1829.8	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N	1765.6	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N	2550.3	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C(O)C(N)=C1	1850.6	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C(O)C(N)=C1	1742.3	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC=C(O)C(N)=C1	2773.8	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #3	C[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O	1906.8	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #3	C[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O	1872.8	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TMS,isomer #3	C[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O	2615.4	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C)C(N)=C1	1825.1	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C)C(N)=C1	1823.5	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C)C(N)=C1	2211.3	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #2	C[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O[Si](C)(C)C	1928.0	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #2	C[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O[Si](C)(C)C	1981.1	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #2	C[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O[Si](C)(C)C	2118.3	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #3	C[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C)=CC=C1O	1929.6	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #3	C[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C)=CC=C1O	1916.3	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #3	C[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C)=CC=C1O	2165.5	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #4	C[Si](C)(C)N(C1=CC(C(=O)O)=CC=C1O)[Si](C)(C)C	1989.8	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #4	C[Si](C)(C)N(C1=CC(C(=O)O)=CC=C1O)[Si](C)(C)C	2001.2	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TMS,isomer #4	C[Si](C)(C)N(C1=CC(C(=O)O)=CC=C1O)[Si](C)(C)C	2236.4	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #1	C[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	1939.6	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #1	C[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	1940.4	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #1	C[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	1975.6	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N([Si](C)(C)C)[Si](C)(C)C	1969.0	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N([Si](C)(C)C)[Si](C)(C)C	2052.1	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N([Si](C)(C)C)[Si](C)(C)C	1983.0	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC=C(O)C(N([Si](C)(C)C)[Si](C)(C)C)=C1	1907.8	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC=C(O)C(N([Si](C)(C)C)[Si](C)(C)C)=C1	1957.2	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)C1=CC=C(O)C(N([Si](C)(C)C)[Si](C)(C)C)=C1	1988.1	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=C1	1959.4	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=C1	1974.2	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=C1	1867.3	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N	2109.8	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N	1989.2	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N	2609.4	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O)C(N)=C1	2109.2	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O)C(N)=C1	1970.9	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O)C(N)=C1	2783.6	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O	2210.6	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O	2083.7	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O	2572.5	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(N)=C1	2363.5	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(N)=C1	2316.0	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(N)=C1	2398.5	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C	2477.2	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C	2424.4	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C	2324.3	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O	2449.5	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O	2356.6	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O	2347.9	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C1=CC(C(=O)O)=CC=C1O)[Si](C)(C)C(C)(C)C	2473.9	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C1=CC(C(=O)O)=CC=C1O)[Si](C)(C)C(C)(C)C	2385.4	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C1=CC(C(=O)O)=CC=C1O)[Si](C)(C)C(C)(C)C	2323.5	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2633.1	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2592.9	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	2366.6	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2647.0	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2664.6	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C(=O)O)C=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2340.2	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	2626.4	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	2590.6	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	2340.7	Standard polar	33892256
3-Amino-4-hydroxybenzoic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	2832.4	Semi standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	2791.2	Standard non polar	33892256
3-Amino-4-hydroxybenzoic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC=C(O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	2361.1	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Amino-4-hydroxybenzoic acid 10V, Positive-QTOF	splash10-0udi-0900000000-c815ccf442c5c14dcf36	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Amino-4-hydroxybenzoic acid 20V, Positive-QTOF	splash10-0a4i-2900000000-4d248e62e9e6351b9153	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Amino-4-hydroxybenzoic acid 40V, Positive-QTOF	splash10-0ue9-9000000000-bfc5ff2f712b703ed460	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Amino-4-hydroxybenzoic acid 10V, Negative-QTOF	splash10-0zfr-0900000000-e4728ab2afe7bad0ae22	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Amino-4-hydroxybenzoic acid 20V, Negative-QTOF	splash10-0pb9-1900000000-9426617120ce7fea1d25	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Amino-4-hydroxybenzoic acid 40V, Negative-QTOF	splash10-0aor-9200000000-a04d450ab5bdfb7546c4	2021-10-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

58593

KEGG Compound ID

C12115

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

65083

PDB ID

Not Available

ChEBI ID

29476

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

National Institute of Environmental Health Science (NIEHS) [Link]

Showing metabocard for 3-Amino-4-hydroxybenzoic acid (HMDB0304941)

MOL for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

3D MOL for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

3D SDF for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

3D-SDF for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

PDB for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

3D PDB for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

SMILES for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

INCHI for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

Structure for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

3D Structure for HMDB0304941 (3-Amino-4-hydroxybenzoic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra