| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:22 UTC |
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| Update Date | 2025-03-25 00:58:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231827 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O4S |
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| Molecular Mass | 242.0613 |
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| SMILES | CC1(C)CCc2c(OS(=O)(=O)O)cccc21 |
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| InChI Key | CZYMZNXSHRNGMB-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 homopolycyclic compounds |
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| Alternative Parents | hydrocarbon derivativesindanesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteraromatic homopolycyclic compoundorganic oxideorganic oxygen compoundindanesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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