| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:07 UTC |
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| Update Date | 2025-03-21 18:33:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095912 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C11H15NO5 |
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| Molecular Mass | 241.095 |
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| SMILES | COc1cc(CNC(CO)C(=O)O)ccc1O |
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| InChI Key | UGNUUVGCXLGUCC-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino acidsanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholalcoholsecondary aliphatic aminehydroxy acidsecondary aminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundserine or derivativesorganooxygen compoundamine |
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