Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:165218 - methyl 3-hydroxybenzoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
methyl 3-hydroxybenzoate
ChEBI ID
CHEBI:165218
Definition
A benzoate ester resulting from the formal condensation of the carboxy group of 3-hydroxybenzoic acid with methanol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
MetaboLights
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C8H8O3
Net Charge
0
Average Mass
152.149
Monoisotopic Mass
152.04734
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3
InChIKey
YKUCHDXIBAQWSF-UHFFFAOYSA-N
SMILES
COC(=O)C1=CC=CC(O)=C1
Roles Classification
Biological Role
(s):
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
methyl 3-hydroxybenzoate (
CHEBI:165218
)
has functional parent
3-hydroxybenzoic acid (
CHEBI:30764
)
methyl 3-hydroxybenzoate (
CHEBI:165218
)
has role
antibacterial agent (
CHEBI:33282
)
methyl 3-hydroxybenzoate (
CHEBI:165218
)
is a
benzoate ester (
CHEBI:36054
)
methyl 3-hydroxybenzoate (
CHEBI:165218
)
is a
methyl ester (
CHEBI:25248
)
methyl 3-hydroxybenzoate (
CHEBI:165218
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
methyl 3-hydroxybenzoate
Synonyms
Sources
3-(methoxycarbonyl)phenol
NIST Chemistry WebBook
3-carbomethoxyphenol
ChEBI
3-hydroxybenzoic acid methyl ester
ChemIDplus
m
-carbomethoxyphenol
NIST Chemistry WebBook
m
-carbomethoxyphenol
ChemIDplus
m
-hydroxybenzoic acid methyl ester
ChemIDplus
methyl
m
-hydroxybenzoate
ChemIDplus
Manual Xref
Database
79453
ChemSpider
View more database links
Registry Numbers
Types
Sources
19438-10-9
CAS Registry Number
ChemIDplus
19438-10-9
CAS Registry Number
NIST Chemistry WebBook
2208129
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11274592
PubMed citation
Europe PMC
11758930
PubMed citation
Europe PMC
12556461
PubMed citation
Europe PMC
25111267
PubMed citation
Europe PMC
Last Modified
08 July 2022