| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:57 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253789 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O4 |
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| Molecular Mass | 248.0797 |
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| SMILES | Nc1oc2ccccc2c1C(=O)CC(N)C(=O)O |
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| InChI Key | XBTSRHIZNKCSDV-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaryl alkyl ketonesbenzenoidsbenzofuranscarboxylic acidsfuroic acid and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsvinylogous amides |
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| Substituents | furancarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidefuroic acid or derivativesbenzofuranheteroaromatic compoundgamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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