| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:29 UTC |
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| Update Date | 2025-03-21 18:06:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063307 |
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| Frequency | 48.8 |
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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 | COc1ccc(N)c(C(=O)CC(=O)O)c1 |
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| InChI Key | OESVEMYRRYMIRP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidsprimary aminesvinylogous amides |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativebeta-keto acidorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisoleketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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