| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:57 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O6 |
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| Molecular Mass | 284.1008 |
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| SMILES | Cc1c(CC(N)C(=O)O)coc1C(=O)CC(N)C(=O)O |
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| InChI Key | FRJOTGMPPRIPSS-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 heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonescarboxylic acidsdicarboxylic acids and derivativesfuroic acid and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativesheteroaromatic compoundgamma-keto acidoxacycleorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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