| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:17 UTC |
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| Update Date | 2025-03-21 17:58:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013823 |
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| Frequency | 321.4 |
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| Structure | |
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| Chemical Formula | C13H18N2O2 |
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| Molecular Mass | 234.1368 |
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| SMILES | CC(=O)NCCC(=O)Nc1c(C)cccc1C |
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| InChI Key | MPOJEUWDQRSXIT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupm-xylenen-arylamidecarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundxyleneanilidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundacetamideorganooxygen compound |
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