| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:41 UTC |
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| Update Date | 2025-03-25 00:59:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239362 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | Cn1cc(C(=O)CC(O)C(=O)O)c2ccccc21 |
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| InChI Key | FECDBKRLSYQHCT-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 derivativesaryl alkyl ketonesazacyclic compoundsbenzenoidsbeta-hydroxy ketonescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrrolesvinylogous amides |
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| Substituents | beta-hydroxy ketonecarbonyl groupn-methylpyrrolen-alkylindolecarboxylic acidaryl alkyl ketoneindolealpha-hydroxy acidsubstituted pyrrolecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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