| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:24 UTC |
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| Update Date | 2025-03-25 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234216 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O4 |
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| Molecular Mass | 236.0797 |
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| SMILES | COC(=O)NC(=O)CC(=O)c1ccccc1N |
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| InChI Key | DOHVRJKAOXOUIW-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 derivativesdicarboximideshydrocarbon derivativesmethylcarbamatesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneamino acid or derivativesmethylcarbamatebenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximidevinylogous amidecarbonic acid derivativecarbamic acid esteraromatic homomonocyclic compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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