| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:27 UTC |
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| Update Date | 2025-03-25 00:48:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168065 |
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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 | CC(CO)(Oc1ccc(CC(N)=O)cc1)C(=O)O |
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| InChI Key | JHFRPMCLHBCPCH-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidephenol etherphenoxyacetatecarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidealcoholhydroxy acidcarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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