| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:06:14 UTC |
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| Update Date | 2025-03-21 18:29:23 UTC |
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| HMDB ID | HMDB0038338 |
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| Metabolite Identification |
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| DeepMet ID | DMID00077121 |
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| Name | alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid |
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| Frequency | 38.1 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | Cn1cc(CC(O)C(=O)O)c2ccccc21 |
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| InChI Key | ICSFHZYTTBEENT-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 | n-alkylindoles |
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| Direct Parent | n-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | carbonyl groupn-methylpyrrolen-alkylindolecarboxylic acidindolealpha-hydroxy acidsubstituted pyrrolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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