| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:45 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017006 |
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| Frequency | 249.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O2 |
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| Molecular Mass | 180.0899 |
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| SMILES | Nc1ccc(C(=O)NCCO)cc1 |
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| InChI Key | YECHMIOBPCMIGF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolaminesamino acids and derivativesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesn-acylethanolaminesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | alcoholamino acid or derivativesbenzoylcarboxamide groupn-acylethanolaminecarboxylic acid derivativebenzamidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundalkanolamine |
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