| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:38 UTC |
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| Update Date | 2025-03-21 18:39:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126186 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | COc1cc(CCC(=O)C(C)=O)ccc1O |
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| InChI Key | KTPPJZBSDOLRFF-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 ethersalpha-diketonesanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenealpha-diketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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