| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:22 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225235 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14N4O3 |
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| Molecular Mass | 298.1066 |
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| SMILES | CC(C(=O)O)c1ccc(Cn2cnc3c(O)ncnc32)cc1 |
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| InChI Key | PROXINZKZAEUGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativesbicyclic monoterpenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspurines and purine derivatives |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupcarboxylic acidhydroxypyrimidinep-cymeneimidazopyrimidinecarboxylic acid derivativepyrimidineorganic oxide2-phenylpropanoic-acidaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebicyclic monoterpenoidbenzenoidpurineorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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