| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:52 UTC |
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| Update Date | 2025-03-21 18:40:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129133 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C7H7NO4 |
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| Molecular Mass | 169.0375 |
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| SMILES | CNC(=O)c1ccc(C(=O)O)o1 |
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| InChI Key | YQKYBZOEACLGNE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamidefuroic acidoxacyclesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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