| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:13 UTC |
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| Update Date | 2025-03-21 18:33:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098602 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C13H13N5O2 |
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| Molecular Mass | 271.1069 |
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| SMILES | COc1ccc(C2=Nc3c([nH]c(N)nc3=O)NC2)cc1 |
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| InChI Key | QSJILJASRQBGJD-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 | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketiminesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | phenol etherketiminemonocyclic benzene moietyetheriminepyrimidonealkyl aryl etherpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic amineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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