126393 <common-name>(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(9-oxo-10H-benzo[a]anthracen-2-yl)amino]oxyoxane-2-carboxylic acid</common-name> <description>(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(9-oxo-10H-benzo[a]anthracen-2-yl)amino]oxyoxane-2-carboxylic acid is a compound with the formula C24H21NO8. It has an average molecular weight of 451.40 g/mol.</description> <cas nil="true"/> <pubchem-id>154699924</pubchem-id> <chemical-formula>C24H21NO8</chemical-formula> <weight>451.4</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">2026-04-06T09:58:14Z</created-at> <updated-at type="dateTime">2026-08-30T21:48:14Z</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>C1C=C2C=C3C(=CC2=CC1=O)C=CC4=C3C=C(C=C4)NOC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O</moldb-smiles> <moldb-formula>C24H21NO8</moldb-formula> <moldb-inchi>InChI=1S/C24H21NO8/c26-16-6-4-12-9-17-13(7-14(12)8-16)2-1-11-3-5-15(10-18(11)17)25-33-24-21(29)19(27)20(28)22(32-24)23(30)31/h1-5,7-10,19-22,24-25,27-29H,6H2,(H,30,31)/t19-,20-,21+,22-,24?/m0/s1</moldb-inchi> <moldb-inchikey>RHYNZJFHPJNMNG-VDPKEQMDSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">451.1267166</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.8</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>CHEM122286</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00117645</susdat-id> <iupac>(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(9-oxo-10H-benzo[a]anthracen-2-yl)amino]oxyoxane-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">0</paper-count> <sync-id>CED0159352</sync-id> <structure-inchikey>RHYNZJFHPJNMNG-VDPKEQMDSA-N</structure-inchikey> <structure-fingerprint>8000400000000000000080000000000000000100000000100100000000420000000000000000020020000000000000004000000000800000004000000400800000080020000000000000000000000000020800000000300000000000000180000000000010000000810000000100000000000220000000080000000000080100004000004000000000080000000000080000000000000000000000000400000000000000010000010042000080000000000010000000000000100000000000000000000000000000000000000000000008000000000000002000200000004000000100000000001000840000000000440000000000000000000000000000000</structure-fingerprint> 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