| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:03 UTC |
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| Update Date | 2025-03-21 18:34:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103100 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C14H21NO3 |
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| Molecular Mass | 251.1521 |
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| SMILES | CC(C)NCC(O)c1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | ZXYHLZUOHGYKAW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidamino acid or derivativesamino acidp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminearomatic monoterpenoid |
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