297301 <common-name>3,4,5-trihydroxy-6-[3-(1-nitrosopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylic acid</common-name> <description>3,4,5-trihydroxy-6-[3-(1-nitrosopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylic acid belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C15H20N3O7+ and an average molecular weight of 354.33 g/mol.</description> <cas nil="true"/> <pubchem-id>74603535</pubchem-id> <chemical-formula>C15H20N3O7+</chemical-formula> <weight>354.33</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">2026-08-28T13:32:05Z</created-at> <updated-at type="dateTime">2026-08-28T13:32:05Z</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>C1CC(N(C1)N=O)C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)O)O)O)O</moldb-smiles> <moldb-formula>C15H20N3O7+</moldb-formula> <moldb-inchi>InChI=1S/C15H19N3O7/c19-10-11(20)13(15(22)23)25-14(12(10)21)17-5-1-3-8(7-17)9-4-2-6-18(9)16-24/h1,3,5,7,9-14,19-21H,2,4,6H2/p+1</moldb-inchi> <moldb-inchikey>PSNAJRIZSDTBSS-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">354.130125</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.7</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>CHEM293194</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-[3-(1-nitrosopyrrolidin-2-yl)pyridin-1-ium-1-yl]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>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbohydrates and carbohydrate conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0248685</sync-id> <structure-inchikey>PSNAJRIZSDTBSS-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>400000000000000010000020000000000000000000000020000000004000000000000020001000000000000000000020000000000000200800000000020800000000200000004000800000000000000010008000000000000000000000000020100000080001000001000100804000000000000800000000000000000000000000000000000000000400001000000008004000000000000090000000000010000000000008100000000008000000000000000000000000000400001008002000000000000004200000000000000001000000000000140000000000440000000001800000000000000000000</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�� �B������������ ��������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:08:14Z</structure-indexed-at> </compound>