| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:54 UTC |
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| Update Date | 2025-03-21 18:05:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057193 |
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| Frequency | 55.5 |
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| Structure | |
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| Chemical Formula | C10H12O2 |
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| Molecular Mass | 164.0837 |
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| SMILES | COC(=O)c1ccc(C)c(C)c1 |
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| InChI Key | PTSSKYUSCIALKU-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 derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundso-xylenes |
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| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativeso-xylenemethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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