| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:10 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222569 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNO5S |
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| Molecular Mass | 262.9655 |
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| SMILES | O=C1Nc2cc(Cl)c(S(=O)(=O)O)cc2C1O |
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| InChI Key | LDIZHAZYNWDBMP-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindolineslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary alcoholssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamindoleorganochlorideorganosulfonic acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindolearyl chloridealcohol1-sulfo,2-unsubstituted aromatic compoundazacyclecarboxamide grouparyl halidesecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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