| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:10 UTC |
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| Update Date | 2025-03-21 18:05:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057809 |
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| Frequency | 54.8 |
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| Structure | |
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| Chemical Formula | C9H6O6S |
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| Molecular Mass | 241.9885 |
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| SMILES | O=c1ccoc2cc(OS(=O)(=O)O)ccc12 |
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| InChI Key | XCSFFAISQAJEJS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesheteroaromatic compoundoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundpyranpyranonesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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