| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:43 UTC |
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| Update Date | 2025-03-21 17:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023619 |
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| Frequency | 247.8 |
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| Structure | |
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| Chemical Formula | C9H12N4O4 |
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| Molecular Mass | 240.0859 |
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| SMILES | CC(O)C(O)C1=Nc2c([nH]c(=O)[nH]c2=O)NC1 |
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| InChI Key | XMRGTKOPPWQOTM-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 | pteridines and derivatives |
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| Subclass | pteridines and derivatives |
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| Direct Parent | pteridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketimineslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminelactamiminepyrimidonepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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