| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:38 UTC |
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| Update Date | 2025-03-21 18:31:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087551 |
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| Frequency | 32.5 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | CCCC(=O)CCc1ccc(O)c(OC)c1 |
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| InChI Key | TWKXRMWIRZAHEI-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 | paradols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneparadolketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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