| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:42 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225938 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O2 |
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| Molecular Mass | 218.1055 |
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| SMILES | CC(=O)NCCC1=CNc2ccc(O)c1c2 |
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| InChI Key | JCLKKTIZTBOVRH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesamino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupazacycleamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativesecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganoheterocyclic compoundacetamideorganooxygen compound |
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