| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:29 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | CC(=O)NCC(O)(C(=O)O)c1ccccc1 |
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| InChI Key | FLTUGYGKXCQZLY-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 | acetamidesalpha hydroxy acids and derivativesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundacetamideorganooxygen compound |
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