| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:24 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179409 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N4O4 |
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| Molecular Mass | 276.0859 |
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| SMILES | COc1ccc2c(c1)OC(O)c1c(nc(N)[nH]c1=O)N2 |
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| InChI Key | YUPVYQDKLLDCPH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-oxazepinesalkyl aryl ethersazacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary aminesvinylogous amides |
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| Substituents | etherlactampyrimidonealkyl aryl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundsecondary aminepara-oxazepineoxacycleorganic oxygen compoundanisolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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