| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:54 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159966 |
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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 | O=S(=O)(O)Oc1cc(O)cc2c1CCCO2 |
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| InChI Key | BSWGPNJAZRTLBI-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 | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersarylsulfatesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteretherorganic sulfuric acid or derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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