| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:49 UTC |
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| Update Date | 2025-03-21 18:35:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104991 |
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| Frequency | 42.0 |
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| Structure | |
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| Chemical Formula | C13H21N3O |
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| Molecular Mass | 235.1685 |
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| SMILES | CN(C)C(=N)NCCCC(O)c1ccccc1 |
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| InChI Key | YBZJMXVPAXXWGC-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 alcoholscarboximidamidesguanidineshydrocarbon derivativesiminesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholguanidineiminecarboximidamidearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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