321467 <common-name>(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(4-methylbenzoyl)-6-nitrophenoxy]oxane-2-carboxylic acid</common-name> <description>(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(4-methylbenzoyl)-6-nitrophenoxy]oxane-2-carboxylic acid is a chemical compound with the formula C20H19NO11. It has an average molecular weight of 449.40 g/mol.</description> <cas nil="true"/> <pubchem-id>154699618</pubchem-id> <chemical-formula>C20H19NO11</chemical-formula> <weight>449.4</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">2026-08-29T20:57:36Z</created-at> <updated-at type="dateTime">2026-08-29T20:57:36Z</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=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C20H19NO11</moldb-formula> <moldb-inchi>InChI=1S/C20H19NO11/c1-8-2-4-9(5-3-8)13(23)10-6-11(21(29)30)17(12(22)7-10)31-20-16(26)14(24)15(25)18(32-20)19(27)28/h2-7,14-16,18,20,22,24-26H,1H3,(H,27,28)/t14-,15-,16+,18-,20?/m0/s1</moldb-inchi> <moldb-inchikey>GPCPARWMTQPHCE-VKODVYPMSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">449.0958104</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</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>CHEM317360</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>(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(4-methylbenzoyl)-6-nitrophenoxy]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>CED0272188</sync-id> <structure-inchikey>GPCPARWMTQPHCE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000004000040000001000000000000000000010000000001000000001000004000020000000040000400000000000000000004000000008000200100000000000000000000000208000000003800018000000004000000000000100000002000000001000000000000000000000800000000000001000040000400000000000000000000000000000000010000000000000004000000000000000100000000000000840000000000100008000000001000000000000000000000000000021000000000000000080000040001020000002000001000000000001000000000000400000000004c0000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAIgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEBkBoAAAAAwMBCABoAAAAAwEBCAAoAAAAAwIGAGAAAAAD AQYAYAAAAAMBBgBgAAAAAwEGAGAAAAADAQYAYAAAAAMBCAAgAAAAAgYAKAAA AAMECAAoAAAAAwIIAGgAAAADAQEIAGAAAAABAQgAYAAAAAEBCABgAAAAAQEH ICoAAAABAwQIACgAAAADAgggKgAAAP8DAQsAAQABAmgMAgNoDAMEaAwEBWgM BQZoDAQHIAcIKAIHCSAJCmgMCgtoDAsMaAwMDWgMDQ5oDA0PIAwQIBARABES ABITABMUABQVABUWABUXABcYKAIXGSAUGgATGwASHAALHSAdHigCHR8gBgFo DA4JaAwWEQBCAwAAAAYBBgUEAwIGCgsMDQ4JBhITFBUWERcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:17Z</structure-indexed-at> </compound>