| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:30 UTC |
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| Update Date | 2025-03-25 00:46:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O6S |
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| Molecular Mass | 246.0198 |
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| SMILES | COc1cc2c(cc1OS(=O)(=O)O)CCO2 |
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| InChI Key | GTTQVSNDXPJYMH-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 heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescoumaranshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretheralkyl aryl etheroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundanisolesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundcoumaranorganooxygen compound |
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