| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:04 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201444 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9N3O4 |
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| Molecular Mass | 247.0593 |
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| SMILES | COc1cc2[nH]c3c(=O)[nH]c(=O)[nH]c3c2cc1O |
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| InChI Key | HKRFSLVDBYNYKJ-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 | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindoleslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolesvinylogous amides |
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| Substituents | phenol etheretherlactamindole1-hydroxy-2-unsubstituted benzenoidpyrimidonealkyl aryl etherpyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundindole or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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