<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">8877</id>
  <title nil="true"/>
  <common-name>TURMERIC (CURCUMA LONGA L.)</common-name>
  <description nil="true"/>
  <cas>977052-44-0</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C96H104O20</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">2016-05-19T02:30:03Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:13:40Z</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>CC(C)C1CC=C(C)C=C1.CC1=CC(C)=C(CO)C=C1.CC(CC(=O)C=C(C)C)C1=CC=C(C)C=C1.[H]\C(=C(\[H])C1=CC(O)=C(C=C1O)C1=C(O)C=C(\C([H])=C(/[H])C(C)=O)C(O)=C1)C(C)=O.[H]\C(=C(\[H])C1=CC(O)=C(C=C1O)C1=C(O)C(C=O)=C(C=C1)C(\[H])=C(/[H])C(C)=O)C(C)=O.[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)C(\[H])=C(/[H])C1=CC(OC)=C(O)C=C1</moldb-smiles>
  <moldb-formula>C96H104O20</moldb-formula>
  <moldb-inchi>InChI=1S/C21H20O6.C21H18O6.C20H18O6.C15H20O.C10H16.C9H12O/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2;1-12(23)3-5-14-7-8-16(21(27)18(14)11-22)17-10-19(25)15(9-20(17)26)6-4-13(2)24;1-11(21)3-5-13-7-19(25)15(9-17(13)23)16-10-18(24)14(8-20(16)26)6-4-12(2)22;1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14;1-8(2)10-6-4-9(3)5-7-10;1-7-3-4-9(6-10)8(2)5-7/h3-12,24-25H,13H2,1-2H3;3-11,25-27H,1-2H3;3-10,23-26H,1-2H3;5-9,13H,10H2,1-4H3;4-6,8,10H,7H2,1-3H3;3-5,10H,6H2,1-2H3/b7-3+,8-4+;2*5-3+,6-4+;;;</moldb-inchi>
  <moldb-inchikey>YXJQAJYHOZIUDX-IZMASWOCSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1577.868</moldb-average-mass>
  <moldb-mono-mass type="decimal">1576.712095749</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>CHEM007772</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>(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; (2,4-dimethylphenyl)methanol; (3E)-4-{2,2',5,5'-tetrahydroxy-4'-[(1E)-3-oxobut-1-en-1-yl]-[1,1'-biphenyl]-4-yl}but-3-en-2-one; 2,2',5'-trihydroxy-4,4'-bis[(1E)-3-oxobut-1-en-1-yl]-[1,1'-biphenyl]-3-carbaldehyde; 2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene; 2-methyl-6-(4-methylphenyl)hept-2-en-4-one</iupac>
</compound>
