| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:03 UTC |
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| Update Date | 2025-03-21 18:36:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110458 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C9H8ClNO3 |
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| Molecular Mass | 213.0193 |
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| SMILES | O=C(O)C1Cc2cc(O)c(Cl)cc2N1 |
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| InChI Key | MNGNCSXFABYBOF-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 benzenoidsalpha amino acidsamino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindoleorganochloride1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindolearyl chlorideazacyclesecondary aminesecondary aliphatic/aromatic aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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