| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:27 UTC |
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| Update Date | 2025-03-25 00:51:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188673 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO5 |
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| Molecular Mass | 281.1263 |
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| SMILES | CC(c1ccccc1)C(NCCC(O)C(=O)O)C(=O)O |
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| InChI Key | RJTMNHVFKPZVGC-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidgamma amino acid or derivativesalpha-hydroxy acidmonosaccharidealpha-amino acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminehydroxy acidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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