| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:13 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222665 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO7S2 |
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| Molecular Mass | 292.9664 |
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| SMILES | O=S(=O)(O)Oc1cc2cccc(S(=O)(=O)O)c2[nH]1 |
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| InChI Key | MFNRMVDMRGRUAG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspyrrolessulfonylssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativessulfuric acid monoesterindoleorganosulfonic acidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compound1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundindole or derivativessulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativespyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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