| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:54 UTC |
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| Update Date | 2025-03-21 18:32:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092969 |
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| Frequency | 30.1 |
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| Structure | |
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| Chemical Formula | C10H9NO5S |
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| Molecular Mass | 255.0201 |
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| SMILES | Cc1[nH]c2ccccc2c1C(=O)OS(=O)(=O)O |
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| InChI Key | MWVKCNPLKHLGDG-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessulfuric acid monoestersvinylogous amides |
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| Substituents | indolecarboxylic acid derivativevinylogous amidesulfuric acid monoesterorganic sulfuric acid or derivativesazacyclepyrrole-3-carboxylic acid or derivativesindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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