| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:25 UTC |
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| Update Date | 2025-03-25 00:49:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177196 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H10O7S |
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| Molecular Mass | 322.0147 |
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| SMILES | COS(=O)(=O)Oc1cccc2c(=O)oc3cc(O)ccc3c12 |
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| InChI Key | CZMUZMACUOTSHK-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransalkyl sulfatesarylsulfatesbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid diesters |
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| Substituents | benzopyranorganic sulfuric acid or derivatives1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidisocoumarincoumarinlactoneoxacycleorganic oxideorganic oxygen compoundsulfuric acid diesteraromatic heteropolycyclic compoundpyranalkyl sulfate2-benzopyranpyranonehydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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