<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4903</id>
  <title>T3D4848</title>
  <common-name>Methyl 2-hydroxybenzoate</common-name>
  <description>Methyl 2-hydroxybenzoate is found in beverages. Methyl 2-hydroxybenzoate is present in white wine, tea, porcini mushroom Boletus edulis, Bourbon vanilla, clary sage, red sage and fruits including cherry, apple, raspberry, papaya and plum. Methyl 2-hydroxybenzoate is found in leaves of Gaultheria procumbens (wintergreen). Methyl 2-hydroxybenzoate is a flavouring agent.</description>
  <cas>119-36-8</cas>
  <pubchem-id>4133</pubchem-id>
  <chemical-formula>C8H8O3</chemical-formula>
  <weight nil="true"/>
  <appearance></appearance>
  <melting-point>-8.6 °C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>0.7 mg/mL at 30 °C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:19:05Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C12305</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>31832</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC(=O)C1=CC=CC=C1O</moldb-smiles>
  <moldb-formula>C8H8O3</moldb-formula>
  <moldb-inchi>InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">152.1473</moldb-average-mass>
  <moldb-mono-mass type="decimal">152.047344122</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>2.55</logp>
  <hmdb-id>HMDB34172</hmdb-id>
  <chembl-id>CHEMBL108545</chembl-id>
  <chemspider-id>13848808</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
</compound>
