| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:43 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157399 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5 |
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| Molecular Mass | 253.095 |
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| SMILES | O=C(O)CCCNC(C(=O)O)c1ccc(O)cc1 |
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| InChI Key | OGHPNIGMXGMRQY-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidgamma amino acid or derivatives1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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