| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:40 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11N3O4 |
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| Molecular Mass | 273.075 |
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| SMILES | COc1cc(-c2cc3c(=O)[nH]c(=O)[nH]c3[nH]2)ccc1O |
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| InChI Key | GNAQKGNOASYOPZ-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetherlactam1-hydroxy-2-unsubstituted benzenoidmethoxyphenolpyrimidonealkyl aryl etherpyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmethoxybenzeneorganic oxygen compoundanisolepyrrolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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