| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:46 UTC |
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| Update Date | 2025-03-25 01:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248847 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | COc1ccc(C2CC(O)C(O)C(=O)O2)cc1 |
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| InChI Key | LYSGFBRWODQTNQ-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 | 1,2-diolsalkyl aryl etherscarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddelta valerolactonealkyl aryl ethercarboxylic acid derivativelactoneorganic oxideoxanedelta_valerolactoneorganoheterocyclic compound1,2-diolalcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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