| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:05 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217709 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8O9S |
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| Molecular Mass | 303.9889 |
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| SMILES | COc1cc(O)c2c(c1)OC(OS(=O)(=O)O)C(=O)C2=O |
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| InChI Key | JDOMBWUQBNFFPG-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesanisolesaryl ketonescyclic ketoneshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidcyclic ketonealkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundalkyl sulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaryl ketone |
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