| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:08 UTC |
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| Update Date | 2025-03-25 00:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240428 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5 |
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| Molecular Mass | 268.1059 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)C(O)NCC(=O)O |
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| InChI Key | MQIAHPOTLVABEC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkanolaminesalpha amino acidsalpha-hydroxy ketonesamino acidsbenzene and substituted derivativescarboxylic acidsdialkylamineshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-amino acid or derivativesalpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalkanolaminesecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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