| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:21 UTC |
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| Update Date | 2025-03-21 18:28:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072575 |
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| Frequency | 41.2 |
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| Structure | |
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| Chemical Formula | C11H17N3O2 |
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| Molecular Mass | 223.1321 |
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| SMILES | CN(CCCC(O)c1ccc(N)cc1)N=O |
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| InChI Key | JDWYLVKIPFPJOK-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 | aromatic alcoholshydrocarbon derivativesorganic n-nitroso compoundsorganic oxidesorganopnictogen compoundsprimary aminessecondary alcohols |
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| Substituents | aromatic alcoholalcoholorganic nitroso compoundaromatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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