| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:58 UTC |
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| Update Date | 2025-03-21 18:36:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112685 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C14H13N7O2 |
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| Molecular Mass | 311.1131 |
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| SMILES | NC(=O)c1cccc(NCc2cnc3[nH]c(N)nc(=O)c3n2)c1 |
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| InChI Key | OJPMDKCTFHBSGZ-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 | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzamidesbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminesprimary carboxylic acid amidespyrazinespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietyamino acid or derivativesbenzoylpyrimidonecarboxylic acid derivativebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundpyrazinephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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