| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:23 UTC |
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| Update Date | 2025-03-21 17:59:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018403 |
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| Frequency | 224.9 |
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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 | O=C(O)CCNC(=O)c1ccco1 |
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| InChI Key | JYDIWQQDSQKTOK-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidescarbonyl compoundscarboxylic acidsfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | furancarbonyl groupfuroic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcarboxamide group2-heteroaryl carboxamidebeta amino acid or derivativesoxacyclesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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