| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:54 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205586 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O3S |
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| Molecular Mass | 226.0412 |
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| SMILES | NS(=O)c1ccc2c(c1)CC(C(=O)O)N2 |
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| InChI Key | LLTUCDUAJGEIFT-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 |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaminosulfinyl compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminessulfinic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindolesulfinic acid derivativesulfinic acid amidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindoleazacyclesecondary aminesecondary aliphatic/aromatic amineaminosulfinyl compoundmonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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