<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">44524</id>
  <title nil="true"/>
  <common-name>metabolite BH 479-4 of Metazachlor</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>86290103</pubchem-id>
  <chemical-formula>C14H15N3O3</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-06-03T10:53:28Z</created-at>
  <updated-at type="dateTime">2026-03-25T19:46:42Z</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>CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)C(O)=O</moldb-smiles>
  <moldb-formula>C14H15N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H15N3O3/c1-10-5-3-6-11(2)12(10)17(13(18)14(19)20)9-16-8-4-7-15-16/h3-8H,9H2,1-2H3,(H,19,20)</moldb-inchi>
  <moldb-inchikey>PHMHHVKFXZNTKU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">273.292</moldb-average-mass>
  <moldb-mono-mass type="decimal">273.111341355</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>24721983</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>CHEM043419</chemdb-id>
  <dsstox-id>DTXSID00891455</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Übersicht nicht relevanter Grundwassermetaboliten von Pflanzenschutzmittel-Wirkstoffen_BVL_2010</stoff-ident-origin>
  <stoff-ident-id>SI00002340</stoff-ident-id>
  <susdat-id>NS00000322</susdat-id>
  <iupac>[(2,6-dimethylphenyl)[(1H-pyrazol-1-yl)methyl]carbamoyl]formic acid</iupac>
</compound>
