| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:51 UTC |
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| Update Date | 2025-03-21 18:36:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109985 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C12H14N2O3S |
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| Molecular Mass | 266.0725 |
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| SMILES | CC(=O)NCCc1c[nH]c2cc(S(=O)O)ccc12 |
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| InChI Key | YLLHRYKCIHXZGA-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 | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrrolessecondary carboxylic acid amidessulfinic acids |
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| Substituents | carbonyl groupazacycleindolesulfinic acid derivativeheteroaromatic compoundorganosulfur compoundcarboxamide groupcarboxylic acid derivativesulfinic acidsecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundacetamideorganooxygen compound |
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