| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:33 UTC |
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| Update Date | 2025-03-25 00:49:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O7 |
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| Molecular Mass | 296.0896 |
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| SMILES | COc1cc(C2C(=O)CC(O)(C(=O)O)CC2O)ccc1O |
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| InChI Key | POMMFTCDBVPKFR-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 | benzene and substituted derivatives |
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| Subclass | cyclohexylphenols |
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| Direct Parent | cyclohexylphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarboxylic acidscyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcoholstertiary alcohols |
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| Substituents | cyclohexylphenolphenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativeketoneorganic oxidealcoholhydroxy acidcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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