<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3131</id>
  <title>T3D3089</title>
  <common-name>Tutin</common-name>
  <description>Tutin is a plant toxin found in the tutu plant (genus Coriaria). It has powerful convulsant effects. (L1250)</description>
  <cas>2571-22-4</cas>
  <pubchem-id>75729</pubchem-id>
  <chemical-formula>C15H18O6</chemical-formula>
  <weight>294.110340</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>19 mg/mL at 10°C [BEILSTEIN]</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (ingestion) (L1817) ; dermal (L1817)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Tutin is a potent antagonist of the glycine receptor. (L1250)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Tutin is a plant toxin found in the tutu plant (genus Coriaria). (L1250)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Tutin has powerful convulsant effects. (L1250)</health-effects>
  <symptoms>Tutin has powerful convulsant effects. (L1250)</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-07-23T18:26:11Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C09570</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Tutin </stitch-id>
  <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>CC(=C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O</moldb-smiles>
  <moldb-formula>C15H18O6</moldb-formula>
  <moldb-inchi>InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3</moldb-inchi>
  <moldb-inchikey>InChIKey=CCAZWUJBLXKBAY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">294.2998</moldb-average-mass>
  <moldb-mono-mass type="decimal">294.110338308</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
