| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:57 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153386 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO3 |
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| Molecular Mass | 235.1208 |
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| SMILES | COc1ccc(OC(=O)C2CCCN2C)cc1 |
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| InChI Key | UIBCGODEEJESGI-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 | alkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenol estersphenoxy compoundsproline and derivativespyrrolidine carboxylic acidstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl etherorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesalpha-amino acid esterazacyclen-alkylpyrrolidinetertiary aliphatic aminemethoxybenzenemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenol esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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