| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:24 UTC |
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| Update Date | 2025-03-21 18:37:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113752 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C9H6ClNO5S |
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| Molecular Mass | 274.9655 |
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| SMILES | O=C(OS(=O)(=O)O)c1c[nH]c2ccc(Cl)cc12 |
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| InChI Key | OOYKCVYCUHWACU-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 compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterpyrrole-3-carboxylic acid or derivativesindoleorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chlorideindolecarboxylic acid derivativevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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