| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:29 UTC |
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| Update Date | 2025-03-21 18:30:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082556 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C14H17NO5 |
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| Molecular Mass | 279.1107 |
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| SMILES | COc1ccc(NC=O)c(C(=O)CCCCC(=O)O)c1 |
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| InChI Key | LRKLUTAWKBEMRX-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 fatty acidsanilidesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonebenzoylfatty acidn-arylamidealkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidvinylogous amidecarboxamide groupamino fatty acidmethoxybenzenebutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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