| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:05 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153712 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8ClNO4S |
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| Molecular Mass | 272.9863 |
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| SMILES | CS(=O)(=O)c1cc2cc(C(=O)O)[nH]c2cc1Cl |
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| InChI Key | OSWSHLVMMLSUHL-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessulfones |
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| Substituents | carboxylic acidindoleorganochlorideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chlorideindolecarboxylic acid derivativeazacycleheteroaromatic compoundaryl halidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundsulfone |
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