| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:40 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200532 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O5 |
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| Molecular Mass | 306.1216 |
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| SMILES | COc1ccc(NC=O)c(C(=O)CCN2CCC2C(=O)O)c1 |
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| InChI Key | VGERYLXNLUIYNO-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino acidsanilidesanisolesaryl alkyl ketonesazacyclic compoundsazetidinecarboxylic acidsazetidinesbenzoyl derivativesbeta-amino ketonescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyln-arylamideazetidinecarboxylic acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundbeta-aminoketonetertiary amineorganoheterocyclic compoundvinylogous amideazacycletertiary aliphatic aminecarboxamide groupmethoxybenzeneazetidineanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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