| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:32 UTC |
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| Update Date | 2025-03-21 18:32:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089638 |
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| Frequency | 31.5 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | NCCCC(O)(C(=O)O)c1ccccc1 |
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| InChI Key | UIIUJHSLFHXLDG-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylbutylaminestertiary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidaromatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesphenylbutylamineorganic oxygen compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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