| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:25 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | O=C(O)C1CC(OCc2ccccc2)CN1 |
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| InChI Key | RJFJRYVMVNICCP-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 compoundsbenzyletherscarbonyl compoundscarboxylic acidsdialkyl ethersdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidbenzyletheraromatic heteromonocyclic compoundamino aciddialkyl etherorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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