| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:01 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178591 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H31NO |
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| Molecular Mass | 277.2406 |
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| SMILES | CNCCCC(O)c1ccc(C(C)(C)C(C)(C)C)cc1 |
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| InChI Key | IOVRSCISWUJTCV-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 alcoholsdialkylamineshydrocarbon derivativesorganopnictogen compoundsphenylpropanessecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminesecondary aminephenylpropanearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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