| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:58 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155760 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO3S |
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| Molecular Mass | 225.046 |
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| SMILES | CSc1cc2c(cc1O)NC(C(=O)O)C2 |
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| InChI Key | ZKHQIAQYFCNUFU-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 | 1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindole1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolaromatic heteropolycyclic compoundthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindolesulfenyl compoundazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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