<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">19621</id>
  <title nil="true"/>
  <common-name>Tricirbine</common-name>
  <description nil="true"/>
  <cas>35943-35-2</cas>
  <pubchem-id>65399</pubchem-id>
  <chemical-formula>C13H16N6O4</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">2016-05-22T05:18:18Z</created-at>
  <updated-at type="dateTime">2026-04-14T18:46:27Z</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>DB12405</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>[H][C@]1(CO)O[C@@]([H])(N2C=C3C4=C(N=CN=C24)N(C)NC3=N)[C@]([H])(O)[C@]1([H])O</moldb-smiles>
  <moldb-formula>C13H16N6O4</moldb-formula>
  <moldb-inchi>InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1</moldb-inchi>
  <moldb-inchikey>HOGVTUZUJGHKPL-HTVVRFAVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">320.309</moldb-average-mass>
  <moldb-mono-mass type="decimal">320.123303019</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM018516</chemdb-id>
  <dsstox-id>DTXSID6045743</dsstox-id>
  <toxcast-id>45743</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(2R,3S,4R,5R)-2-(hydroxymethyl)-5-{5-imino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,8(12),9-tetraen-2-yl}oxolane-3,4-diol</iupac>
</compound>
