| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:17 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218177 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O4 |
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| Molecular Mass | 260.0797 |
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| SMILES | N#Cc1ccc(C2CC(C(=O)O)NC2C(=O)O)cc1 |
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| InChI Key | MRMGTVXSPQAJHS-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzonitrilescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganopnictogen compoundsphenylpyrrolidinespyrrolespyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinecarbonitrileorganoheterocyclic compoundproline or derivativessecondary aliphatic amineazacyclesecondary aminebenzonitrile3-phenylpyrrolidinepyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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