| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:13 UTC |
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| Update Date | 2025-03-21 17:58:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015892 |
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| Frequency | 271.3 |
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| Structure | |
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| Chemical Formula | C14H16O5 |
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| Molecular Mass | 264.0998 |
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| SMILES | CC(=O)OC(=O)c1ccccc1C(=O)OCC(C)C |
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| InChI Key | ARRMMPWWMYIYKG-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativesbenzyloxycarbonylscarbonyl compoundscarboxylic acid anhydridescarboxylic acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | benzyloxycarbonylcarbonyl groupbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid estercarboxylic acid anhydridehydrocarbon derivativeorganooxygen compound |
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