| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:52 UTC |
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| Update Date | 2025-03-21 17:58:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015126 |
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| Frequency | 288.6 |
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| Structure | |
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| Chemical Formula | C9H10O2 |
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| Molecular Mass | 150.0681 |
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| SMILES | COC(=O)c1cccc(C)c1 |
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| InChI Key | CPXCDEMFNPKOEF-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 compoundstoluenes |
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| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativetolueneorganooxygen compound |
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