| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:13 UTC |
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| Update Date | 2025-03-25 00:55:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211073 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO4 |
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| Molecular Mass | 275.1158 |
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| SMILES | CC(=O)CCC(O)COC(=O)c1c[nH]c2ccccc12 |
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| InChI Key | CBCYRSQXBGMEFZ-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 | azacyclic compoundsbenzenoidscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindolesketonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouppyrrole-3-carboxylic acid or derivativesindolecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativealcoholvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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