| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:20 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149574 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO5 |
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| Molecular Mass | 275.0794 |
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| SMILES | O=C(CCc1cccc(O)n1)c1c(O)cc(O)cc1O |
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| InChI Key | VCUXBWXTUZLUBK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesacylphloroglucinols and derivativesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundpolyhalopyridinebenzoyl1-hydroxy-2-unsubstituted benzenoidphloroglucinol derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundacylphloroglucinol derivativeazacyclebenzenetriolheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidbutyrophenonevinylogous acidpyridinephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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