| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:27 UTC |
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| Update Date | 2025-03-25 01:01:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248129 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O5S |
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| Molecular Mass | 244.0405 |
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| SMILES | Cc1ccc2c(c1)OCC(OS(=O)(=O)O)C2 |
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| InChI Key | JHIATMVBTASSQG-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 ethersalkyl sulfatesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteretherorganic sulfuric acid or derivatives1-benzopyranalkyl aryl etheroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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