330682 <common-name>3,4,5-trihydroxy-6-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenoxy]oxane-2-carboxylic acid</common-name> <description>3,4,5-trihydroxy-6-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenoxy]oxane-2-carboxylic acid is a chemical compound with the formula C22H20N2O8. It has an average molecular weight of 440.40 g/mol.</description> <cas nil="true"/> <pubchem-id>167530376</pubchem-id> <chemical-formula>C22H20N2O8</chemical-formula> <weight>440.4</weight> <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">2026-08-30T11:20:25Z</created-at> <updated-at type="dateTime">2026-08-30T11:20:25Z</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>C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O)O</moldb-smiles> <moldb-formula>C22H20N2O8</moldb-formula> <moldb-inchi>InChI=1S/C22H20N2O8/c25-15-10-5-11-3-1-2-4-14(11)16(15)24-23-12-6-8-13(9-7-12)31-22-19(28)17(26)18(27)20(32-22)21(29)30/h1-10,17-20,22,25-28H,(H,29,30)</moldb-inchi> <moldb-inchikey>DUUQXQVBBHEYIS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">440.1219656</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</logp> <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>CHEM326575</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>3,4,5-trihydroxy-6-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenoxy]oxane-2-carboxylic acid</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"/> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0281228</sync-id> <structure-inchikey>DUUQXQVBBHEYIS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000300000000000000000000000000000240000000000000004000000000000000000000000400000000800020000000000000000002000000020800000000380000204000000000000000000010010000000000000000000000000001000000080000000000000100004000000000001800080000000000000000000000100000000000000400000000000000010000000040000080000000000010000000000100100010000000000000000040100002100000000000000408080000000000000000200000000000000000000000803000040000000000440000000000000000800000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ���#���€��@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������@(������@(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������`�������`�������`�������`�������`������� ������(�������(�������h��������`�������`�������`�������h���������h���h���h���h���h���h���h���h�� h� �(��� � h� �h���h���h���h��� �����������������������(��� ����������� ��h� �h���h����B��������������� ��� ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:10Z</structure-indexed-at> </compound>