| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:34 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154861 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O2S |
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| Molecular Mass | 236.0871 |
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| SMILES | COc1ccc(C(=O)C2CCCCS2)cc1 |
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| InChI Key | AXTVGBDUNXIEPM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesdialkylthioethershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsthianes |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compounddialkylthioetherbenzoylalkyl aryl ethermethoxybenzeneorganic oxidethioetheranisolehydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketoneorganoheterocyclic compoundthiane |
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