| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:45 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237288 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | O=C(CCc1cc[nH]c1)c1c(O)cc(O)cc1O |
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| InChI Key | KYKNSSZPXDNQSA-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 benzenoidsacylphloroglucinols and derivativesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidphloroglucinol derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacylphloroglucinol derivativeazacyclebenzenetriolheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidbutyrophenonevinylogous acidpyrrolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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