| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:46 UTC |
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| Update Date | 2025-03-21 18:40:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131300 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C13H22N2O2 |
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| Molecular Mass | 238.1681 |
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| SMILES | CC(C)NCC(O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | NNXKZHGORRCVFF-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-hydroxy-2-unsubstituted benzenoidsamphetamines and derivativesdialkylamineshydrocarbon derivativesmonoalkylaminesorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholsecondary aliphatic amine1-hydroxy-2-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivativesamine |
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