| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:12 UTC |
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| Update Date | 2025-03-21 17:57:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011295 |
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| Frequency | 410.3 |
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| Structure | |
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| Chemical Formula | C10H9NO6S |
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| Molecular Mass | 271.0151 |
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| SMILES | COc1ccc2[nH]cc(C(=O)OS(=O)(=O)O)c2c1 |
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| InChI Key | DKIAFXBPNJPJLQ-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 | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessulfuric acid monoestersvinylogous amides |
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| Substituents | phenol ethersulfuric acid monoesteretherpyrrole-3-carboxylic acid or derivativesindolealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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