| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:11 UTC |
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| Update Date | 2025-03-21 18:00:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024729 |
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| Frequency | 157.1 |
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| Structure | |
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| Chemical Formula | C8H9NO4 |
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| Molecular Mass | 183.0532 |
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| SMILES | NC(CC(=O)c1ccco1)C(=O)O |
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| InChI Key | KJZYUHUJOOMESO-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonescarboxylic acidsfuroic acid and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativesheteroaromatic compoundgamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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