<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">7915</id>
  <title nil="true"/>
  <common-name>MILK CLOTTING ENZYME FROM MUCOR MIEHEI COONEY ET EMERSON</common-name>
  <description nil="true"/>
  <cas>977017-76-7</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C21H20N3</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">2016-05-19T02:17:55Z</created-at>
  <updated-at type="dateTime">2026-04-14T21:10:39Z</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>DB17031</drugbank-id>
  <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>CCN1C2=CC(=N)C=CC2=C2C=CC([NH3+])=CC2=C1C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C21H20N3</moldb-formula>
  <moldb-inchi>InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1</moldb-inchi>
  <moldb-inchikey>QTANTQQOYSUMLC-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal">314.4036</moldb-average-mass>
  <moldb-mono-mass type="decimal">314.165722655</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>3498</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>CHEM006810</chemdb-id>
  <dsstox-id>DTXSID9048487</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00015346</susdat-id>
  <iupac>5-ethyl-3-imino-6-phenyl-3,5-dihydrophenanthridin-8-aminium</iupac>
</compound>
