| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:31 UTC |
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| Update Date | 2025-03-21 17:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023184 |
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| Frequency | 180.2 |
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| Structure | |
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| Chemical Formula | C8H7NO6 |
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| Molecular Mass | 213.0273 |
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| SMILES | O=C(O)CNC(=O)c1ccc(C(=O)O)o1 |
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| InChI Key | BMLDRTOFHSQTSR-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 acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfuroic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compound2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativesheteroaromatic compoundcarboxamide groupfuroic acidn-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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