| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:08 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235901 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O8S |
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| Molecular Mass | 292.0253 |
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| SMILES | COc1cc(O)c2c(c1)CC(O)C(OS(=O)(=O)O)O2 |
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| InChI Key | UDNBZNBRNDFLSN-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesanisoleshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfatealcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundanisolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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