| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:03 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153630 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO3 |
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| Molecular Mass | 225.1365 |
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| SMILES | COc1ccc(CC(O)CCN)cc1OC |
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| InChI Key | TZBVPPZLGCFQBU-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 | alkyl aryl ethersanisolesdimethoxybenzeneshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol etheretheralkyl aryl ethermethoxybenzenearomatic homomonocyclic compounddimethoxybenzenephenylbutylamineorganic oxygen compoundanisoleo-dimethoxybenzeneorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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