| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:47 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171075 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11N5O4 |
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| Molecular Mass | 301.0811 |
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| SMILES | COc1cc(-c2nc3c(=O)[nH]c(N)nc3nc2O)ccc1O |
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| InChI Key | SMDRITYBHRTBSX-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminespyrazinespyrimidones |
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| Substituents | phenol ethermonocyclic benzene moietyetherlactam1-hydroxy-2-unsubstituted benzenoidmethoxyphenolpyrimidonealkyl aryl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpterinazacycleheteroaromatic compoundmethoxybenzeneorganic oxygen compoundanisolepyrazinephenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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