| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:51 UTC |
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| Update Date | 2025-03-21 18:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033363 |
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| Frequency | 108.8 |
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| Structure | |
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| Chemical Formula | C11H12O6 |
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| Molecular Mass | 240.0634 |
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| SMILES | COc1cc(C(O)CC(=O)C(=O)O)ccc1O |
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| InChI Key | VAUIAEGCIBDEJA-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolesaromatic alcoholsbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholbeta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidalcoholmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidsecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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