<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">62831</id>
  <title nil="true"/>
  <common-name>Solvent Yellow 29</common-name>
  <description nil="true"/>
  <cas>6706-82-7</cas>
  <pubchem-id>6537797</pubchem-id>
  <chemical-formula>C44H52N4O2</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">2026-04-02T22:36:40Z</created-at>
  <updated-at type="dateTime">2026-05-20T17:14:34Z</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>CC1=CC(=CC=C1N=NC1=CC(=CC=C1O)C1CCCCC1)C1(CCCCC1)C1=CC=C(N=NC2=CC(=CC=C2O)C2CCCCC2)C(C)=C1</moldb-smiles>
  <moldb-formula>C44H52N4O2</moldb-formula>
  <moldb-inchi>InChI=1S/C44H52N4O2/c1-30-26-36(18-20-38(30)45-47-40-28-34(16-22-42(40)49)32-12-6-3-7-13-32)44(24-10-5-11-25-44)37-19-21-39(31(2)27-37)46-48-41-29-35(17-23-43(41)50)33-14-8-4-9-15-33/h16-23,26-29,32-33,45-46H,3-15,24-25H2,1-2H3/b47-40+,48-41+</moldb-inchi>
  <moldb-inchikey>OOWDAVSZZOHOJT-ZVUQQYKTSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">668.926</moldb-average-mass>
  <moldb-mono-mass type="decimal">668.409027</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>5020764</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>CHEM058724</chemdb-id>
  <dsstox-id>DTXSID50879809</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013491</susdat-id>
  <iupac>(6E)-4-cyclohexyl-6-[[4-[1-[4-[(2E)-2-(3-cyclohexyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]hydrazinylidene]cyclohexa-2,4-dien-1-one</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
</compound>
