| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:22 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17N3O8 |
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| Molecular Mass | 391.1016 |
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| SMILES | O=C(O)C1=CC(=CC=NC(Cc2c[nH]cc2C(=O)O)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | DVBYSDFKJQACJE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaldiminesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrole carboxylic acidstetrahydropyridinesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesamino acid or derivativesamino acidiminealpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundtetrahydropyridinetetracarboxylic acid or derivativesorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compoundamine |
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