<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5046</id>
  <title>T3D4987</title>
  <common-name>Dihydro-5-propyl-2(3H)-furanone</common-name>
  <description>xi-Dihydro-5-propyl-2(3H)-furanone is found in alcoholic beverages. xi-Dihydro-5-propyl-2(3H)-furanone is present in papaya, peach, pineapple, mango, nectarine, cape gooseberry, asparagus, licorice, black tea, wines and canned beef.</description>
  <cas>57129-71-2</cas>
  <pubchem-id>7742</pubchem-id>
  <chemical-formula>C7H12O2</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point>226.3 C at 760 mmHg</boiling-point>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-10-14T21:20:11Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:09:15Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCC1CCC(=O)O1</moldb-smiles>
  <moldb-formula>C7H12O2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3</moldb-inchi>
  <moldb-inchikey>VLSVVMPLPMNWBH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">128.169</moldb-average-mass>
  <moldb-mono-mass type="decimal">128.083729628</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id>HMDB31681</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>7456</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"/>
  <chemdb-id>CHEM003941</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-propyloxolan-2-one</iupac>
</compound>
