| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:42 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200594 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O3S |
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| Molecular Mass | 224.0507 |
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| SMILES | COc1ccc(C2COC(=O)CS2)cc1 |
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| InChI Key | MWBLLUPFCBHWSX-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acid estersdialkylthioethershydrocarbon derivativeslactonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxathianesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddialkylthioether1,4-oxathianealkyl aryl ethercarboxylic acid derivativemethoxybenzenelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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