| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:43 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187014 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO3 |
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| Molecular Mass | 277.1678 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)CCCN2CCC2)cc1 |
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| InChI Key | DNPLQVUDFLXSIT-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsaromatic monoterpenoidsazacyclic compoundsazetidinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundsphenylpropanoic acidssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidp-cymenecarboxylic acid derivativeorganic oxidephenylbutylamine2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic amineazetidinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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