| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:20 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13ClO5 |
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| Molecular Mass | 260.0452 |
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| SMILES | O=C(O)Cc1ccc(OCC(O)CO)c(Cl)c1 |
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| InChI Key | FWBDSMMEVOJFAT-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 | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxideprimary alcohol1,2-diolaryl chloridechlorobenzenealcoholaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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