| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:18 UTC |
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| Update Date | 2025-03-21 18:04:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048866 |
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| Frequency | 67.7 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | O=C(OCc1ccccc1)C1CCCN1 |
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| InChI Key | VVCLBQFBKZQOAF-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 compoundsproline and derivativespyrrolidine carboxylic acids |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid esterazacyclesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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