| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:59 UTC |
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| Update Date | 2025-03-21 18:41:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134033 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C14H18O5 |
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| Molecular Mass | 266.1154 |
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| SMILES | CCOC(=O)c1cc(C(=O)O)c(O)c(C(C)(C)C)c1 |
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| InChI Key | DJYXDGHTZQEJBK-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 | m-phthalate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesm-phthalic acid and derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanessalicylic acidsvinylogous acidsp-hydroxybenzoic acid alkyl esters |
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| Substituents | carboxylic acidp-hydroxybenzoic acid esterbenzoylbenzoate estersalicylic acidcarboxylic acid derivativephenylpropaneorganic oxidemeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidmeta-phthalic acid esterp-hydroxybenzoic acid alkyl esterhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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