| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:35 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154863 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O6 |
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| Molecular Mass | 226.0477 |
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| SMILES | COc1ccc(C(=O)C(O)C(=O)O)c(O)c1 |
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| InChI Key | SKNBJNIFCFFSFL-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 | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacyloinsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenoxy compoundsphenylpropanoic acidssecondary alcoholsvinylogous acids |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidalpha-hydroxy acidmethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativebeta-keto acidsaccharideorganic oxidealcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesanisoleketo acidacyloinsecondary alcoholphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundphenoxy compoundalkyl-phenylketone |
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