| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:16 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O6S |
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| Molecular Mass | 282.0198 |
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| SMILES | O=C(Cc1ccc(OS(=O)(=O)O)cc1)c1ccco1 |
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| InChI Key | ABGGRPMASPAGKD-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 | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | furanmonocyclic benzene moietysulfuric acid monoesterfuroic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundketonephenylsulfateoxacycleorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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