| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:21 UTC |
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| Update Date | 2025-03-21 17:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009297 |
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| Frequency | 519.9 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | Cn1cc(CC(=O)O)c2ccccc21 |
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| InChI Key | NAIPEFIYIQFVFC-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl groupn-methylpyrrolen-alkylindolecarboxylic acidazacycleindoleheteroaromatic compoundsubstituted pyrrolecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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