| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:15 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O6S |
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| Molecular Mass | 260.0355 |
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| SMILES | COc1cc(CC=O)ccc1OS(=O)(=O)OC |
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| InChI Key | OYBRQPXCPKWLID-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfatesalpha-hydrogen aldehydesanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylacetaldehydessulfuric acid diesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraldehydealkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralpha-hydrogen aldehydeanisolealkyl sulfatehydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundphenylacetaldehyde |
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