| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:54 UTC |
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| Update Date | 2025-03-21 17:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010594 |
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| Frequency | 443.2 |
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| Structure | |
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| Chemical Formula | C9H10N2O2 |
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| Molecular Mass | 178.0742 |
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| SMILES | NC(=O)CC(=O)c1ccccc1N |
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| InChI Key | IRPCNKRTYANMLR-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 | amino acids and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietyaryl alkyl ketoneamino acid or derivativesfatty amidebenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidecarboxamide grouparomatic homomonocyclic compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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