| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:33 UTC |
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| Update Date | 2025-03-21 18:37:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114116 |
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| Frequency | 23.2 |
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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(OS(=O)(=O)O)c(O)oc2cc(O)cc(O)c12 |
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| InChI Key | ZXBVJVWPAMKFOC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfatesbenzenoidschromonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoesterbenzopyranorganic sulfuric acid or derivatives1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcoumarinoxacyclevinylogous acidorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundpyranpyranonesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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