| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:51 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237484 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N4O5 |
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| Molecular Mass | 294.0964 |
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| SMILES | Nc1ccn(C2OC(CO)C3C=C(C(=O)O)NC32)c(=O)n1 |
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| InChI Key | KEAXBTKIEULJCW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidonespyrroline 2-carboxylic acidstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundalcoholsecondary aliphatic aminecarbonic acid derivativeazacycletetrahydrofuranpyrroline carboxylic acid or derivativesheteroaromatic compoundsecondary aminepyrroline 2-carboxylic acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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