| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:17 UTC |
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| Update Date | 2025-03-25 00:53:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201881 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O5S |
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| Molecular Mass | 286.0875 |
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| SMILES | Cc1cc(OS(=O)(=O)O)c(C)c2c1CCC(C)(C)O2 |
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| InChI Key | NEAVBXICXNMICQ-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 | 2,2-dimethyl-1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersarylsulfatesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteretherorganic sulfuric acid or derivatives2,2-dimethyl-1-benzopyranalkyl aryl etheroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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