| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:35 UTC |
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| Update Date | 2025-03-21 18:39:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123658 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C16H22O7S |
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| Molecular Mass | 358.1086 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)OS(=O)(=O)O)O2 |
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| InChI Key | DFNUJIUXQRXFLH-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 ethersbenzenoidscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupetherorganic sulfuric acid or derivatives1-benzopyranalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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