| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:18 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179173 |
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| Frequency | 0.5 |
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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 | COc1ccc(C2CC(=O)C(O)CO2)cc1 |
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| InChI Key | MGMOGSDYOUPGPT-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscyclic ketonesdialkyl ethershydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundcyclic ketonealkyl aryl ethermethoxybenzenedialkyl etherketoneoxacycleorganic oxideorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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