Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:29 UTC |
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Update Date | 2025-03-21 18:34:06 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00099241 |
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Frequency | 27.7 |
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Structure | |
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Chemical Formula | C9H7ClN2O4S |
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Molecular Mass | 273.9815 |
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SMILES | NS(=O)(=O)c1cc2c(C(=O)O)c[nH]c2cc1Cl |
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InChI Key | RJQVBVQPCZGLQC-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 | 1-carboxy-2-haloaromatic compoundsaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespyrrole carboxylic acidsvinylogous amides |
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Substituents | organosulfonic acid or derivativescarboxylic acidpyrrole-3-carboxylic acid or derivativesindoleorganochlorideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundaryl chlorideindolecarboxylic acid derivativevinylogous amideazacycleaminosulfonyl compoundheteroaromatic compoundaryl halidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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