| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:40 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 | DMID00023523 |
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| Frequency | 173.2 |
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| Structure | |
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| Chemical Formula | C14H15N7O2 |
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| Molecular Mass | 313.1287 |
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| SMILES | NC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1 |
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| InChI Key | DFNTUODSRZZKLC-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 derivativesketiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminesprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amideketiminemonocyclic benzene moietyamino acid or derivativesiminebenzoylpyrimidonecarboxylic acid derivativebenzamidepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativesorganic 1,3-dipolar compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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