| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:13 UTC |
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| Update Date | 2025-03-21 18:40:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129935 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C12H19NO4 |
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| Molecular Mass | 241.1314 |
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| SMILES | CNCC(O)C(O)Cc1ccc(O)c(OC)c1 |
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| InChI Key | CVFDZLLHOAIBBV-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-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesdialkylamineshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherphenylbutylamineorganonitrogen compoundorganopnictogen compound1,2-diolalcoholsecondary aliphatic aminesecondary aminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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