| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:32 UTC |
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| Update Date | 2025-03-21 17:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023230 |
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| Frequency | 169.6 |
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| Structure | |
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| Chemical Formula | C12H14N2O4 |
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| Molecular Mass | 250.0954 |
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| SMILES | CC(=O)NCCC(=O)c1cc(O)ccc1NC=O |
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| InChI Key | VQSJWONYDZIMTD-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 | 1-hydroxy-2-unsubstituted benzenoidsacetamidesanilidesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidevinylogous amidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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