| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:17 UTC |
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| Update Date | 2025-03-25 00:59:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236235 |
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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=c1oc2ccccc2c2cccc(S(=O)(=O)O)c12 |
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| InChI Key | UNHGBJAUBHIDNA-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 compounds2-benzopyransarylsulfonic acids and derivativesbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganooxygen compoundsorganosulfonic acidsoxacyclic compoundspyranones and derivativessulfonyls |
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| Substituents | organosulfonic acid or derivatives1-benzopyranorganosulfonic acidorganosulfur compoundlactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyran1-sulfo,2-unsubstituted aromatic compoundheteroaromatic compoundisocoumarincoumarinoxacyclesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativespyran2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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