| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:39 UTC |
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| Update Date | 2025-03-21 18:29:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078142 |
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| Frequency | 37.5 |
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| Structure | |
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| Chemical Formula | C12H19NO2 |
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| Molecular Mass | 209.1416 |
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| SMILES | CN(C)CC(O)C(O)Cc1ccccc1 |
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| InChI Key | MOCVCLBQSABAQJ-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 | 1,2-aminoalcohols1,2-diols1,3-aminoalcoholshydrocarbon derivativesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | alcohol1,3-aminoalcohol1,2-aminoalcoholtertiary aliphatic aminearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound1,2-diol |
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