| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:33 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179755 |
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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(OC(=O)CC(=O)O)cc1O |
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| InChI Key | NUWFJTRZANMAQH-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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