<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">104092</id>
  <title nil="true"/>
  <common-name>Amiclenomycin</common-name>
  <description>Amiclenomycin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C10H16N2O2 and an average molecular weight of 196.25 g/mol.</description>
  <cas>53696-70-1</cas>
  <pubchem-id>99594</pubchem-id>
  <chemical-formula>C10H16N2O2</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">2026-04-05T11:24:58Z</created-at>
  <updated-at type="dateTime">2026-04-05T11:24:58Z</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>NC(CCC1C=CC(N)C=C1)C(O)=O</moldb-smiles>
  <moldb-formula>C10H16N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7?,8?,9-/m0/s1</moldb-inchi>
  <moldb-inchikey>LAJWZJCOWPUSOA-HACHORDNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">196.25</moldb-average-mass>
  <moldb-mono-mass type="decimal">196.1211778</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>CHEM099985</chemdb-id>
  <dsstox-id>DTXSID30905731</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00068741</susdat-id>
  <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 acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">39</paper-count>
  <sync-id>CED0025061</sync-id>
  <structure-inchikey>LAJWZJCOWPUSOA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000000000000020000000010000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000000000000001000010000002000010000008800000000000004000000000000000000000000000000100000000000000010000000000000000000001000000000000000000000000000000000000000000000000000000001000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000800840000040000000000400000000001000000020000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBwBgAAAAAQIGAGAAAAAD
AQYAYAAAAAICBgBgAAAAAgIGAGAAAAADAQYAaAAAAAMDAQYAaAAAAAMDAQYA
YAAAAAMBBwBgAAAAAQIGAGgAAAADAwEGAGgAAAADAwEGACgAAAADBAgAaAAA
AAMBAQgAKAAAAAMCCwABAAECAAIDAAMEAAQFAAUGCAIGBwAHCAAHCQAJCggC
AQsACwwgCw0oAgoEAEIBAAAABgQKCQcGBRcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:41:23Z</structure-indexed-at>
</compound>
