| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:46 UTC |
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| Update Date | 2025-03-21 18:39:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124102 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C9H8O6S |
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| Molecular Mass | 244.0042 |
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| SMILES | O=C1CC(OS(=O)(=O)O)Oc2ccccc21 |
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| InChI Key | UQKYMEAFOJYYKT-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 | alkyl sulfatesaryl alkyl ketonesbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketoneketoneoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundalkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaryl ketone |
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