| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:21 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250197 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10N4O5 |
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| Molecular Mass | 302.0651 |
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| SMILES | O=C(O)c1ccccc1Cn1c(=O)[nH]c2c(=O)[nH]c(=O)[nH]c21 |
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| InChI Key | HIBLDVDLUNIGME-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | monocyclic benzene moietylactamcarboxylic acidbenzoylpyrimidonecarboxylic acid derivativepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidazolen-substituted imidazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundbenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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