| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:24 UTC |
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| Update Date | 2025-03-21 18:29:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079976 |
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| Frequency | 36.4 |
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| Structure | |
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| Chemical Formula | C13H19NO3 |
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| Molecular Mass | 237.1365 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)CCCN)cc1 |
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| InChI Key | XAKFZLFOCPEDPX-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 | aromatic alcoholsaromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholmonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativeorganic oxidephenylbutylamine2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundalcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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