| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:53 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O4 |
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| Molecular Mass | 248.1049 |
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| SMILES | COc1cc(CC2(O)C=CC(=O)CC2)ccc1O |
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| InChI Key | RCTPBJUNGNUNCS-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 ethersanisolescyclohexenoneshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | alcoholcyclohexenonephenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethermethoxybenzeneketonearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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