| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:06 UTC |
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| Update Date | 2025-03-21 18:31:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084009 |
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| Frequency | 34.2 |
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| Structure | |
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| Chemical Formula | C8H9NO5 |
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| Molecular Mass | 199.0481 |
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| SMILES | O=C(NC(CO)C(=O)O)c1ccco1 |
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| InChI Key | WTIGDSOLUXVTHA-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivatives |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compound2-heteroaryl carboxamidebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholfuroic acid or derivativesn-acyl-alpha-amino acidheteroaromatic compoundhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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