| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:56 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235476 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | COc1cc(CC(=O)C(C)=O)cc(OC)c1OC |
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| InChI Key | PQTIPHDFPIKETQ-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-diketoneshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupetheralkyl aryl ethermethoxybenzenealpha-diketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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