<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">10034</id>
  <title nil="true"/>
  <common-name>9,10-Dihydro-9,10-dioxoanthracene-2,7-disulphonic acid, sodium salt</common-name>
  <description nil="true"/>
  <cas>10017-59-1</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C14H7NaO8S2</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">2016-05-19T02:55:15Z</created-at>
  <updated-at type="dateTime">2026-04-05T18:28:54Z</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>[Na+].OS(=O)(=O)C1=CC2=C(C=C1)C(=O)C1=C(C=C(C=C1)S([O-])(=O)=O)C2=O</moldb-smiles>
  <moldb-formula>C14H7NaO8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H8O8S2.Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13;/h1-6H,(H,17,18,19)(H,20,21,22);/q;+1/p-1</moldb-inchi>
  <moldb-inchikey>NRPIKZANENIUOM-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">390.31</moldb-average-mass>
  <moldb-mono-mass type="decimal">389.94800381</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>CHEM008929</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00081028</susdat-id>
  <iupac>sodium 9,10-dioxo-7-sulfo-9,10-dihydroanthracene-2-sulfonate</iupac>
</compound>
