<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3659</id>
  <title>T3D3606</title>
  <common-name>Ochratoxin B</common-name>
  <description>Ochratoxin B is a metabolite of Aspergillus ochraceusOchratoxin B belongs to the family of Ochratoxins and related substances. These are compounds containing the ochratoxin skeleton, which is structurally characterized by the presence of a 3-phenylpropanoic acid N-linked to a 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxamide moiety[1]. (Reference: [1] http://www.inchem.org/documents/ehc/ehc/ehc105.htm).</description>
  <cas>4825-86-9</cas>
  <pubchem-id>609663</pubchem-id>
  <chemical-formula>C20H19NO6</chemical-formula>
  <weight></weight>
  <appearance>Crystals from methanol. (A715)</appearance>
  <melting-point>221°C</melting-point>
  <boiling-point></boiling-point>
  <density></density>
  <solubility></solubility>
  <specific-gravity></specific-gravity>
  <flash-point></flash-point>
  <vapour-pressure></vapour-pressure>
  <route-of-exposure>Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Ochratoxin B is  thought to inhibit the accumulation of cartilage proteoglycans and general protein synthesis in a concentration-related manner. (A2872)</mechanism-of-toxicity>
  <metabolism>Ochratoxin B is metabolized to 4-hydroxyochratoxin B. (A2871)</metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Human exposure occurs mainly through consumption of improperly stored food products, particularly contaminated grain and pork products, as well as coffee, wine grapes and dried grapes. (L1939)</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Ochratoxin exposure has been associated with acute tubular necrosis and Balkan endemic nephropathy. Ochratoxin A has been shown to be nephrotoxic; might delay sexual maturation. (A704)</health-effects>
  <symptoms>Might cause respiratory irritation. (A704)</symptoms>
  <treatment>Care is symptomatic and supportive. (A704)</treatment>
  <created-at type="dateTime">2009-11-13T22:46:58Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:13Z</updated-at>
  <interacting-proteins></interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id></uniprot-id>
  <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>CC1CC2=C(C(=O)O1)C(O)=C(C=C2)C(O)=NC(CC1=CC=CC=C1)C(O)=O</moldb-smiles>
  <moldb-formula>C20H19NO6</moldb-formula>
  <moldb-inchi>InChI=1/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)</moldb-inchi>
  <moldb-inchikey>InChIKey=DAEYIVCTQUFNTM-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">369.368</moldb-average-mass>
  <moldb-mono-mass type="decimal">369.121237345</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB29401</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>529965</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>
