| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:03 UTC |
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| Update Date | 2025-03-21 18:40:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129551 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C12H18N2O2 |
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| Molecular Mass | 222.1368 |
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| SMILES | Cc1ccc(C(O)CCCN(C)N=O)cc1 |
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| InChI Key | NMUOQYDJMNDGPT-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 compoundssecondary alcoholstoluenes |
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| Substituents | aromatic alcoholalcoholorganic nitroso compoundaromatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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