| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:41 UTC |
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| Update Date | 2025-03-21 18:28:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073401 |
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| Frequency | 40.6 |
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| Structure | |
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| Chemical Formula | C10H11NO4 |
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| Molecular Mass | 209.0688 |
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| SMILES | O=C(O)CC(Nc1ccccc1)C(=O)O |
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| InChI Key | LUHMZMOENSCJAC-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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