| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:56 UTC |
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| Update Date | 2025-03-21 18:36:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112618 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C10H11NO6 |
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| Molecular Mass | 241.0586 |
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| SMILES | O=C(O)CCC(C(=O)O)n1ccc(=O)c(O)c1 |
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| InChI Key | AFJDXYNITDDMAR-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecyclic ketonealpha-amino acid or derivativesorganic oxidepyridineorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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