| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:45 UTC |
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| Update Date | 2025-03-21 18:06:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063941 |
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| Frequency | 48.2 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | O=C(O)C(CO)Nc1ccccc1 |
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| InChI Key | CXIYBDIJKQJUMN-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 | serine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary alcoholssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholalcoholhydroxy acidsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundserine or derivativesamineorganooxygen compound |
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