| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:52 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O4 |
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| Molecular Mass | 262.0954 |
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| SMILES | CC(=O)NCCc1c[nH]c2ccc(C(=O)O)c(O)c12 |
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| InChI Key | PKMRMKQEPNRWMD-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 |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsacetamidesazacyclic compoundsbenzenoidscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessalicylic acid and derivativessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundacetamideazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouphydroxybenzoic acidsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesindolecarboxylic acidpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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