| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:20 UTC |
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| Update Date | 2025-03-25 00:56:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13N3O3 |
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| Molecular Mass | 259.0957 |
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| SMILES | Cn1c(=N)ccn(Cc2ccccc2C(=O)O)c1=O |
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| InChI Key | LFDFTNGSHPYDDH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesureas |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundbenzoylpyrimidonecarboxylic acid derivativepyrimidineureaorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidimidolactamorganoheterocyclic compoundcarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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