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<compound>
  <id type="integer">24664</id>
  <title nil="true"/>
  <common-name>Melezitose</common-name>
  <description>Melezitose is a chemical compound with the molecular formula C18H32O16. Melezitose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 504.44 g/mol, Melezitose is a heavy molecule.

This compound is found in or released from six recorded sources across two primary categories. Within the category of food, food processing and cookware, it is associated with agglomerated sugar products, molasses and the treatment of molasses, the preparation of vinegar, the preparation of wine or sparkling wine, and the preparation of wort. Additionally, it is found in household cleaning and consumer products, specifically within other smoking requisites.</description>
  <cas>597-12-6</cas>
  <pubchem-id>92817</pubchem-id>
  <chemical-formula>C18H32O16</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">2016-05-25T21:08:46Z</created-at>
  <updated-at type="dateTime">2026-04-03T00:15:50Z</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>OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O</moldb-smiles>
  <moldb-formula>C18H32O16</moldb-formula>
  <moldb-inchi>InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2</moldb-inchi>
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  <moldb-average-mass type="decimal">504.4371</moldb-average-mass>
  <moldb-mono-mass type="decimal">504.169034976</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>83787</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>CHEM023559</chemdb-id>
  <dsstox-id>DTXSID20883458</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00014989</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>268.67999999999995</moldb-polar-surface-area>
  <moldb-refractivity>101.18739999999997</moldb-refractivity>
  <moldb-polarizability>46.28811124431232</moldb-polarizability>
  <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count>
  <moldb-acceptor-count>16</moldb-acceptor-count>
  <moldb-donor-count>11</moldb-donor-count>
  <moldb-pka-strongest-acidic>11.861610441760474</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.45612361660174</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>-3.34</moldb-alogps-logp>
  <moldb-alogps-logs>0.19</moldb-alogps-logs>
  <moldb-alogps-solubility>7.81e+02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer">2640</paper-count>
  <sync-id>CED0005817</sync-id>
  <structure-inchikey>QWIZNVHXZXRPDR-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:09:35Z</structure-indexed-at>
</compound>
