| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:47 UTC |
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| Update Date | 2025-03-25 01:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248869 |
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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 | COc1cc2c(cc1OS(=O)(=O)O)oc(=O)c1ccccc12 |
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| InChI Key | DLCUDNHMDWTXBW-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-benzopyrans2-benzopyransalkyl aryl ethersanisolesarylsulfatesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterether1-benzopyranalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranonearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyrananisole2-benzopyransulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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