| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:28 UTC |
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| Update Date | 2025-03-21 18:02:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037314 |
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| Frequency | 94.4 |
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| Structure | |
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| Chemical Formula | C10H9NO2 |
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| Molecular Mass | 175.0633 |
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| SMILES | O=C(O)Cn1ccc2ccccc21 |
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| InChI Key | WQJFIWXYPKYBTO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl groupn-alkylindolecarboxylic acidazacycleindoleheteroaromatic compoundindole or derivativesalpha-amino acid or derivativessubstituted pyrroleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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