| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:02 UTC |
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| Update Date | 2025-03-21 18:39:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127107 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C11H15NO4 |
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| Molecular Mass | 225.1001 |
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| SMILES | O=C(O)CCNCC(O)c1ccc(O)cc1 |
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| InChI Key | BGFXHTQYMDCFBO-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acidsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminebeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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