| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:14 UTC |
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| Update Date | 2025-03-21 18:33:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093784 |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C13H17NO2 |
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| Molecular Mass | 219.1259 |
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| SMILES | O=C(OCc1ccccc1)C1CCCCN1 |
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| InChI Key | RSEPHCRIRACQML-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 acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzyloxycarbonylscarbonyl compoundscarboxylic acid estersdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidines |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid esterazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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