| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:18:46 UTC |
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| Update Date | 2025-03-21 18:35:48 UTC |
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| HMDB ID | HMDB0029645 |
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| Metabolite Identification |
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| DeepMet ID | DMID00107332 |
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| Name | Xanthoxylin |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C10H12O4 |
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| Molecular Mass | 196.0736 |
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| SMILES | COc1cc(O)c(C(C)=O)c(OC)c1 |
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| InChI Key | FBUBVLUPUDBFME-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetophenonesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesdimethoxybenzeneshydrocarbon derivativesmethoxyphenolsorganic oxidesphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonemethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherdimethoxybenzeneorganic oxideacetophenone1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundvinylogous acidm-dimethoxybenzeneanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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