| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:33 UTC |
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| Update Date | 2025-03-25 00:53:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200257 |
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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 | COC(=O)c1cc(C(C)(C)C)c(O)cc1C(=O)O |
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| InChI Key | JHOPMXSVPSAOJC-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmethyl estersorganic oxidesorganooxygen compoundsphenylpropanes |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativep-hydroxybenzoic acid alkyl esterhydroxybenzoic acidphenylpropanearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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