| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:29 UTC |
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| Update Date | 2025-03-21 18:35:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106647 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C26H25N3O5 |
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| Molecular Mass | 459.1794 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(Cc2[nH]c3ccccc3c2C(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | HHWICPLONXEQEA-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 | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzenoidscarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindoleslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidspyrrolinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrrole-3-carboxylic acid or derivativesindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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