| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:51 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178223 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15N3O3 |
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| Molecular Mass | 273.1113 |
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| SMILES | Cn1c(=N)ccn(C(Cc2ccccc2)C(=O)O)c1=O |
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| InChI Key | MGWNFIRQNYZSHY-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 acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesureas |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineureaorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundamphetamine or derivativescarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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