| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:45 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237290 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12N2O6 |
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| Molecular Mass | 304.0695 |
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| SMILES | O=C(O)c1cn(C(Cc2ccccc2)C(=O)O)c(=O)[nH]c1=O |
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| InChI Key | KRGMFQUAPDKLFG-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 | alpha amino acids and derivativesamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidonesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundpyrimidine-5-carboxylic acid or derivativespyrimidine-5-carboxylic acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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