| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:53 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N4O3 |
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| Molecular Mass | 222.0753 |
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| SMILES | COC(=O)C1=Cc2c([nH]c(N)nc2=O)NC1 |
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| InChI Key | VYPDJHDWCNMBPO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridopyrimidines |
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| Subclass | pyridopyrimidines |
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| Direct Parent | pyridopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundsenoate estersheteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyridines and derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupamino acid or derivativespyrimidonecarboxylic acid derivativepyrimidinealpha,beta-unsaturated carboxylic esterorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundenoate estervinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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