| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:06 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176428 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5S |
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| Molecular Mass | 282.0562 |
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| SMILES | COc1ccc(C2(C(=O)O)SCCC2C(=O)O)cc1 |
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| InChI Key | RYLMMWPCAKFJNX-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 acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsthiolanes |
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| Substituents | thiolanemonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compounddialkylthioetheralkyl aryl ethercarboxylic acid derivativemethoxybenzeneorganic oxideorganic oxygen compoundthioetheranisoledicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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