| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:57 UTC |
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| Update Date | 2025-03-21 17:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008351 |
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| Frequency | 587.9 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | CC(=O)NCCC(=O)c1ccccc1NC=O |
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| InChI Key | QLDWOSIDMFWKQC-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 | acetamidesanilidesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyln-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidevinylogous amidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidehydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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