| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:01 UTC |
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| Update Date | 2025-03-25 00:53:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198984 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O3 |
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| Molecular Mass | 204.0786 |
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| SMILES | COc1cccc(CC2=CC(=O)OC2)c1 |
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| InChI Key | MDUPOUXUPOALFV-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 ethersbutenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideorganoheterocyclic compounddihydrofuranenoate estermethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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