| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:36 UTC |
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| Update Date | 2025-03-25 00:48:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170673 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO3 |
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| Molecular Mass | 205.0739 |
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| SMILES | COC(=O)CNC(=C=O)c1ccccc1 |
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| InChI Key | QSTYCZWWQSEVKA-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 | alpha amino acidsbenzene and substituted derivativescarbonyl compoundsdialkylamineshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietycarbonyl groupalpha-amino acid estersecondary aminearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundynolatecarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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