| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:24 UTC |
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| Update Date | 2025-03-25 00:58:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231918 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O7S |
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| Molecular Mass | 344.093 |
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| SMILES | CC1(CCC(=O)O)CC(C)(C)c2cc(OS(=O)(=O)O)ccc2O1 |
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| InChI Key | OZJKXAZRGSMYDB-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 | alkyl aryl ethersarylsulfatesbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidorganic sulfuric acid or derivatives1-benzopyranalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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