| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:02 UTC |
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| Update Date | 2025-03-21 18:29:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076631 |
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| Frequency | 38.4 |
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| Structure | |
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| Chemical Formula | C9H12N2O |
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| Molecular Mass | 164.095 |
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| SMILES | NC(=O)CC(N)c1ccccc1 |
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| InChI Key | LWTUSLSPLDBOBT-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupfatty amidecarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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