| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:34 UTC |
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| Update Date | 2025-03-21 18:00:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030297 |
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| Frequency | 122.8 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | COC(=O)c1ccccc1C(=O)OCC(C)=O |
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| InChI Key | VJZWCJMEMRMTOT-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 derivativesdicarboxylic acids and derivativeshydrocarbon derivativesketonesmethyl estersorganic oxides |
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| Substituents | carbonyl groupbenzoylbenzoate estercarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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