| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:09 UTC |
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| Update Date | 2025-03-21 18:02:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038881 |
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| Frequency | 89.8 |
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| Structure | |
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| Chemical Formula | C12H17NO2 |
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| Molecular Mass | 207.1259 |
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| SMILES | CC(C(=O)O)c1ccc(CN(C)C)cc1 |
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| InChI Key | FAVDBWHZOOONOC-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 acidsaralkylaminesaromatic monoterpenoidsbenzylaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundsphenylmethylaminestrialkylamines |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidamino acid or derivativesamino acidp-cymenecarboxylic acid derivativearalkylamineorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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