| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:14 UTC |
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| Update Date | 2025-03-25 00:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233825 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16N2O4 |
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| Molecular Mass | 288.111 |
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| SMILES | Cc1cc(=O)[nH]c(=O)n1Cc1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | WTBPOTDMMKITBT-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 heteromonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidlactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonep-cymenecarboxylic acid derivativepyrimidineorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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