| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:01 UTC |
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| Update Date | 2025-03-21 18:05:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059836 |
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| Frequency | 52.4 |
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| Structure | |
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| Chemical Formula | C9H10N2O5 |
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| Molecular Mass | 226.059 |
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| SMILES | O=C(O)CNC(=O)CNC(=O)c1ccco1 |
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| InChI Key | BBDHYMZKWNAQLB-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdipeptidesfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compound2-heteroaryl carboxamidealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativesalpha-amino acid amideheteroaromatic compoundcarboxamide groupn-acylglycinealpha-dipeptideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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