<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">60011</id>
  <title nil="true"/>
  <common-name>Liviatin</common-name>
  <description>Liviatin is an organic compound with the formula C22H24N2O8. Liviatin belongs to the tetracyclines, a class of phenylpropanoids and polyketides within the organic compounds. This compound has been identified in two recorded sources, including drinking water and water supply, as well as antibiotics used in healthcare, pharmaceuticals, and veterinary products. Recorded routes of exposure for this substance include inhalation and oral ingestion.</description>
  <cas>60080-38-8</cas>
  <pubchem-id>54681536</pubchem-id>
  <chemical-formula>C22H24N2O8</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">2026-03-26T18:50:25Z</created-at>
  <updated-at type="dateTime">2026-05-20T17:31:26Z</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>C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)C2=C1C=CC=C2O</moldb-smiles>
  <moldb-formula>C22H24N2O8</moldb-formula>
  <moldb-inchi>InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)</moldb-inchi>
  <moldb-inchikey>SGKRLCUYIXIAHR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">444.153266</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>34561028</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>CHEM055904</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000694</susdat-id>
  <iupac>4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Phenylpropanoids and polyketides</superklass>
  <klass>Tetracyclines</klass>
  <subklass nil="true"/>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0052699</sync-id>
  <structure-inchikey>JBIWCJUYHHGXTC-AKNGSSGZSA-N</structure-inchikey>
  <structure-fingerprint>200000800000000000000000000000000040000000000010420000000000000100000000000010002000000000000000000000400000000000000000000000000000020200040000000000000000000000000000000010000840020000000004000000000000000000000000000000040101001000048000000800000000000000020101000000000000000000000400000000080040000000400000000080000000000000000004001080100000000000000000000000200002100000200000000000000000000000020001200800000080000000001400000400040000000000400080000000000020000800000050000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:14:08Z</structure-indexed-at>
</compound>
