| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:01 UTC |
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| Update Date | 2025-03-25 00:49:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171611 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O3 |
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| Molecular Mass | 251.127 |
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| SMILES | CN(CCCC(N)c1ccc(C(=O)O)cc1)N=O |
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| InChI Key | AUKDJSHTJFBBNT-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic n-nitroso compoundsorganic oxidesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | organic nitroso compoundcarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidemonocarboxylic acid or derivativesphenylbutylamineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundbenzoic acidorganooxygen compound |
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