| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:54 UTC |
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| Update Date | 2025-03-21 18:33:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095358 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | CC(C(=O)O)c1ccc(C(=O)N(C)C)cc1 |
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| InChI Key | DWJGFCMTOVSKSK-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 | aromatic monoterpenoidsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidbenzoylp-cymenecarboxylic acid derivativebenzamideorganic oxide2-phenylpropanoic-acidtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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