| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:15 UTC |
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| Update Date | 2025-03-21 18:32:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088977 |
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| Frequency | 31.8 |
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| Structure | |
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| Chemical Formula | C13H22NO+ |
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| Molecular Mass | 208.1696 |
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| SMILES | C[N+](C)(C)CCCC(O)c1ccccc1 |
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| InChI Key | QVQRTTOSFSLJRR-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 | aminesaromatic alcoholshydrocarbon derivativesorganic cationsorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholalcoholtetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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