<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141310</id>
  <title nil="true"/>
  <common-name>Bicozamycin</common-name>
  <description>Bicozamycin belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C12H18N2O7 and an average molecular weight of 302.28 g/mol.</description>
  <cas>38129-37-2</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C12H18N2O7</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">2026-04-15T17:37:48Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:38:22Z</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>DB20821</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>C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2</moldb-smiles>
  <moldb-formula>C12H18N2O7</moldb-formula>
  <moldb-inchi>InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10+,11-,12+/m0/s1</moldb-inchi>
  <moldb-inchikey>WOUDXEYYJPOSNE-VKZDFBPFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">302.283</moldb-average-mass>
  <moldb-mono-mass type="decimal">302.111400928</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>CHEM137203</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Alcohols and polyols</subklass>
  <paper-count type="integer">90</paper-count>
  <sync-id>CED0019658</sync-id>
  <structure-inchikey>WOUDXEYYJPOSNE-VKZDFBPFSA-N</structure-inchikey>
  <structure-fingerprint>40000000100000140000800000007000400000000000000000000002100000000000000000000020000000000000200000800000000000000000000000000400400000000000000000000000000010000020800000000000004100000000000000000000010000000100000000000800000000020000020000000000000000500000000048000000000000200000000030000000000000010000000000000000020000000000400000000200080000000000000000000000000000000000000000000000000000000010000000000000000000000000000000200000000000000000000000000000000000000000080000000000000000000000000002000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������ $�������`�������`�������`������ 4��������`������ $�������h��������(�������(������ $�������`�������h��������(�������(�������(�������h��������`�������`������� ������������������������������	 	
(�	�������� ��(�����������������������B������	����������	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:02Z</structure-indexed-at>
</compound>
