| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:42 UTC |
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| Update Date | 2025-03-21 18:34:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099744 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O2 |
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| Molecular Mass | 194.1055 |
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| SMILES | O=C(NCc1ccco1)C1CCCN1 |
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| InChI Key | IJTWVOMEEKXYQQ-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 acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundsecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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