Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:12 UTC |
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Update Date | 2025-03-21 18:35:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105928 |
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Frequency | 25.5 |
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Structure | |
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Chemical Formula | C11H16O4 |
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Molecular Mass | 212.1049 |
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SMILES | COc1cc(CC(C)(O)CO)ccc1O |
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InChI Key | LIDLLQSTAFLNJK-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesphenoxy compoundsphenylpropanestertiary alcohols |
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Substituents | alcoholphenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound1,2-diol |
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