| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:51 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224113 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO3 |
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| Molecular Mass | 195.0895 |
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| SMILES | O=C(CNCCO)Oc1ccccc1 |
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| InChI Key | YTOLQLZNZKJMGL-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 homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolaminesalpha amino acidscarbonyl compoundscarboxylic acid estersdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol estersphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl grouporganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminealcoholsecondary aliphatic aminealpha-amino acid estersecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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