| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:56 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119837 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | O=C(O)C(O)C(O)Cn1ccc2ccccc21 |
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| InChI Key | QFDMUDLZEUXDDW-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 | 1,2-diolsalpha hydroxy acids and derivativesazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | carbonyl groupn-alkylindolecarboxylic acidindolealpha-hydroxy acidmonosaccharidesubstituted pyrrolecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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