| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:32 UTC |
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| Update Date | 2025-03-21 18:40:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128339 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C17H20N4O8 |
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| Molecular Mass | 408.1281 |
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| SMILES | COc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1OC |
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| InChI Key | GQUMOYJSHKFUBU-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 | alloxazines and isoalloxazines |
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| Direct Parent | alloxazines and isoalloxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | phenol etheretherlactampyrimidonealkyl aryl etherisoalloxazinepyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compoundanisolepyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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