| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:35 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204875 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6O8S |
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| Molecular Mass | 273.9783 |
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| SMILES | O=c1c(OS(=O)(=O)O)coc2cc(O)c(O)cc12 |
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| InChI Key | AITGLJOUMPUZPN-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 | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsarylsulfatesbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundpyranpyranonesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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