| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:06 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233492 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO5 |
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| Molecular Mass | 261.0637 |
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| SMILES | Nc1cccc2c1C(=O)C(O)=C(CCC(=O)O)C2=O |
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| InChI Key | KRIWTQRJTVDOJC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthoquinones |
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| Direct Parent | naphthoquinones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | amino acidsaryl ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesquinonesvinylogous acidsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidearomatic homopolycyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminenaphthoquinoneorganooxygen compoundaryl ketonequinone |
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