| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:16 UTC |
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| Update Date | 2025-03-25 00:54:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208769 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO3 |
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| Molecular Mass | 231.0895 |
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| SMILES | CC(=O)c1cc2[nH]c(C(=O)O)c(C)c2cc1C |
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| InChI Key | YQGCBKMVQILPFT-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 3-methylindolesacetophenonesaryl alkyl ketonesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivatives |
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| Substituents | 3-methylindolecarboxylic acidaryl alkyl ketoneindolecarboxylic acid derivativeketoneorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundacetophenoneorganopnictogen compoundindolecarboxylic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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