| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:23 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 | DMID02177117 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H8O5S |
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| Molecular Mass | 276.0092 |
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| SMILES | O=c1c2ccccc2oc2c(S(=O)(=O)O)cccc12 |
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| InChI Key | ZUTZIXCYLMSLLM-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 | xanthones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenoidschromonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidsoxacyclic compoundspyranones and derivativessulfonyls |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidorganosulfur compoundorganic oxidechromonearomatic heteropolycyclic compoundpyranonexanthone1-sulfo,2-unsubstituted aromatic compoundheteroaromatic compoundoxacyclesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativespyranhydrocarbon derivativebenzenoidorganooxygen compound |
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