| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:37 UTC |
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| Update Date | 2025-03-21 18:37:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116672 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C8H6O4S2 |
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| Molecular Mass | 229.9708 |
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| SMILES | O=S(=O)(O)Oc1csc2ccccc12 |
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| InChI Key | CEQAEAUQMRXYMZ-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 | 1-benzothiophenesbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoestersthiophenes |
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| Substituents | sulfuric acid monoesterheteroaromatic compoundthiopheneorganic oxidebenzothiopheneorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiophenesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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