| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:02 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 | DMID02178614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23NO2 |
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| Molecular Mass | 237.1729 |
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| SMILES | CNCCC(O)c1ccc(CC(C)(C)O)cc1 |
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| InChI Key | SDPUXHVGRHJRRT-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcoholstertiary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminesecondary aminephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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