| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:20 UTC |
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| Update Date | 2025-03-25 00:55:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O4 |
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| Molecular Mass | 294.1328 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCCC(=O)c1cccc(O)c1N |
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| InChI Key | VYGCDLQOSCZFDA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesc-nitro compoundsdialkylamineshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsphenylbutylaminesprimary aminespropargyl-type 1,3-dipolar organic compoundsvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneallyl-type 1,3-dipolar organic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidephenylbutylaminec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumvinylogous amidesecondary aliphatic amineorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidsecondary aminebutyrophenonearomatic homomonocyclic compoundphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganic hyponitrite |
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