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<compound>
  <id type="integer">8035</id>
  <title nil="true"/>
  <common-name>NUTMEG, OIL (MYRISTICA FRAGRANS HOUTT.)</common-name>
  <description>NUTMEG, OIL (MYRISTICA FRAGRANS HOUTT.) belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This substance has the formula C32H56 and an average molecular weight of 440.80 g/mol. In industrial applications, it is utilized as a fragrance, as well as a flavouring and nutrient.</description>
  <cas>8008-45-5</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C32H56</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">2016-05-19T02:19:31Z</created-at>
  <updated-at type="dateTime">2026-04-14T20:32:30Z</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>DB15996</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>CC1(C)C2CCC(C2)C1=C.[H][C@@]1(C)C[C@@]([H])(CCC1=C)C(C)C.[H][C@@]1(C)C[C@@]([H])(CC=C1C)C(C)C</moldb-smiles>
  <moldb-formula>C32H56</moldb-formula>
  <moldb-inchi>InChI=1S/2C11H20.C10H16/c2*1-8(2)11-6-5-9(3)10(4)7-11;1-7-8-4-5-9(6-8)10(7,2)3/h5,8,10-11H,6-7H2,1-4H3;8,10-11H,3,5-7H2,1-2,4H3;8-9H,1,4-6H2,2-3H3/t2*10-,11-;/m11./s1</moldb-inchi>
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  <moldb-average-mass type="decimal">440.8</moldb-average-mass>
  <moldb-mono-mass type="decimal">440.438201803</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM006930</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>0.0</moldb-polar-surface-area>
  <moldb-refractivity>51.251400000000004</moldb-refractivity>
  <moldb-polarizability>20.22174070603259</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>0</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>5.10</moldb-alogps-logp>
  <moldb-alogps-logs>-3.80</moldb-alogps-logs>
  <moldb-alogps-solubility>2.39e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer">36</paper-count>
  <sync-id>CED0009765</sync-id>
  <structure-inchikey>LLPXXXJSNSMISE-PHIZCRGKSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:03:08Z</structure-indexed-at>
</compound>
