| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:56 UTC |
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| Update Date | 2025-03-25 00:53:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198790 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17N3O7 |
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| Molecular Mass | 375.1066 |
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| SMILES | NC(CC(=O)c1ccc(NCc2cc(C(=O)O)[nH]c2C(=O)O)cc1)C(=O)O |
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| InChI Key | HEAUJWLAAVQXHW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalkylaminespyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessecondary alkylarylaminestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyltricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminegamma-keto acidbutyrophenoneketo acidpyrrolephenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaminealkyl-phenylketone |
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