<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">43888</id>
  <title nil="true"/>
  <common-name>Met 210</common-name>
  <description>Met 210 belongs to the tyrosols and derivatives, a subclass of phenols within the organic compounds. This benzenoid compound has the chemical formula C11H14O4 and an average molecular weight of 210.23 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C11H14O4</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">2016-06-03T10:11:29Z</created-at>
  <updated-at type="dateTime">2026-03-26T20:15:29Z</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>OCCC1=CC=C(OCC(O)C=O)C=C1</moldb-smiles>
  <moldb-formula>C11H14O4</moldb-formula>
  <moldb-inchi>InChI=1S/C11H14O4/c12-6-5-9-1-3-11(4-2-9)15-8-10(14)7-13/h1-4,7,10,12,14H,5-6,8H2</moldb-inchi>
  <moldb-inchikey>FHHVRYIJXFUASF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">210.229</moldb-average-mass>
  <moldb-mono-mass type="decimal">210.089208931</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>CHEM042783</chemdb-id>
  <dsstox-id>DTXSID00162839</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Li et al. 2014</stoff-ident-origin>
  <stoff-ident-id>SI00001129</stoff-ident-id>
  <susdat-id>NS00002323</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>66.76</moldb-polar-surface-area>
  <moldb-refractivity>55.288900000000005</moldb-refractivity>
  <moldb-polarizability>22.056660850286015</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.819516364340807</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.402204086988755</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>0.36</moldb-alogps-logp>
  <moldb-alogps-logs>-2.21</moldb-alogps-logs>
  <moldb-alogps-solubility>1.28e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenols</klass>
  <subklass>Tyrosols and derivatives</subklass>
  <paper-count type="integer">140699</paper-count>
  <sync-id>CED0000851</sync-id>
  <structure-inchikey>FHHVRYIJXFUASF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800002000200000000000000000000000002100000000040000000000200200000000000000000000000000000000000004000000008000000000000000200000000000000000020000000000300000200000000000000000000010000000000000000000000000000000000000000000000000800000000040000000000000800000000000000000000000000000000001000000000000000000000000000000000080000000000000004080000000000000000000000000008000000000000000000000000000000000000000000000220000000000000000000000000000040001000800000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@h�������@h�������@(�������(�������`�������`�������`�������h��������(������@h�������@h������������������h���h���h��� ����	�	
�	�������h��h���h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:11:37Z</structure-indexed-at>
</compound>
