| 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 | DMID02200533 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O3 |
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| Molecular Mass | 244.0848 |
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| SMILES | COc1ccc(NC=O)c(C(=O)c2ccc[nH]2)c1 |
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| InChI Key | JBLRTMLJQVJFSZ-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 | aryl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanilidesanisolesaryl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrrolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundbenzoyln-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacyclearyl-phenylketoneheteroaromatic compoundcarboxamide groupmethoxybenzeneanilidesecondary carboxylic acid amideanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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