| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:14 UTC |
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| Update Date | 2025-03-21 18:40:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129980 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C18H23N7O4 |
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| Molecular Mass | 401.1812 |
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| SMILES | CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)CC(N)C(=O)O)cc1 |
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| InChI Key | HNVXHHJNKCNCOJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonescarboxylic acidsdialkylarylaminesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminespterins and derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietylactamcarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineimidolactamtertiary amineorganoheterocyclic compoundvinylogous amidepterinazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminegamma-keto acidbutyrophenonemonocarboxylic acid or derivativesketo acidphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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