| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:05 UTC |
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| Update Date | 2025-03-21 18:31:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086308 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C9H6O9S |
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| Molecular Mass | 289.9733 |
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| SMILES | O=C1C(=O)C(OS(=O)(=O)O)Oc2cc(O)cc(O)c21 |
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| InChI Key | YAELXRURGHLYTQ-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 sulfatesaryl ketonesbenzenoidscyclic ketoneshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidcyclic ketoneketoneorganic oxidechromonearomatic heteropolycyclic compoundalkyl sulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaryl ketone |
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