| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:29 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221005 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O4 |
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| Molecular Mass | 260.0797 |
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| SMILES | O=C(O)c1cn(C(Cc2ccccc2)C(=O)O)cn1 |
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| InChI Key | NPYPGZNWFKVTAZ-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 compoundscarbonylimidazolescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | carbonyl groupmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundamphetamine or derivativesazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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