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  <common-name>Limoni</common-name>
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  <cas>1180-71-8</cas>
  <pubchem-id>179651</pubchem-id>
  <chemical-formula>C26H30O8</chemical-formula>
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  <appearance nil="true"/>
  <melting-point nil="true"/>
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  <flash-point nil="true"/>
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  <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">2016-05-22T05:26:50Z</created-at>
  <updated-at type="dateTime">2026-04-03T01:46:10Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
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  <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>CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1</moldb-smiles>
  <moldb-formula>C26H30O8</moldb-formula>
  <moldb-inchi>InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1</moldb-inchi>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>156367</chemspider-id>
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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"/>
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  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM018681</chemdb-id>
  <dsstox-id>DTXSID8045985</dsstox-id>
  <toxcast-id>45985</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00015860</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>104.57000000000001</moldb-polar-surface-area>
  <moldb-refractivity>114.7192</moldb-refractivity>
  <moldb-polarizability>47.806472840384515</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>17.606840669762278</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.8525572165882376</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>7</moldb-number-of-rings>
  <moldb-alogps-logp>3.47</moldb-alogps-logp>
  <moldb-alogps-logs>-3.77</moldb-alogps-logs>
  <moldb-alogps-solubility>7.99e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Triterpenoids</subklass>
  <paper-count type="integer">160</paper-count>
  <sync-id>CED0016406</sync-id>
  <structure-inchikey>KBDSLGBFQAGHBE-MSGMIQHVSA-N</structure-inchikey>
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  <structure-pickle>ï¾­Þ����������������"���(���€���`������� ������`������� ����� 4��������`�������(�������(�������(�������`������ $������ 4��������`�������(�������(������ $�������`������ 4��������`�������`������ $�������`������ 4��������(�������(�������(������ 4�������� ����� $������@(������@h�������@(������@h�������@h���������������������������(��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:07:47Z</structure-indexed-at>
</compound>
