| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:11 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249803 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O4S |
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| Molecular Mass | 256.0769 |
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| SMILES | Cc1cc2c(c(OS(=O)(=O)O)c1)C(C)CCC2 |
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| InChI Key | GSSVGIJJKQBKKL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | arylsulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | tetralinsulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compound |
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