| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:33 UTC |
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| Update Date | 2025-03-25 00:56:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218803 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8O5S |
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| Molecular Mass | 240.0092 |
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| SMILES | Cc1ccc(S(=O)(=O)O)c2oc(=O)ccc12 |
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| InChI Key | AZKOEIVREQIKAB-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-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsorganosulfonic acidsoxacyclic compoundspyranones and derivativessulfonyls |
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| Substituents | organosulfonic acid or derivativesbenzopyran1-sulfo,2-unsubstituted aromatic compound1-benzopyranheteroaromatic compoundorganosulfonic acidorganosulfur compoundcoumarinlactoneoxacycleorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesaromatic heteropolycyclic compoundorganic sulfonic acid or derivativespyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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