| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:36 UTC |
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| Update Date | 2025-03-21 18:40:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130885 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C12H11NO5 |
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| Molecular Mass | 249.0637 |
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| SMILES | O=C(O)c1[nH]c2ccccc2c1CC(O)C(=O)O |
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| InChI Key | DVUJRFWFWKCFRO-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 | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-hydroxy acidcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativealcoholazacycleheteroaromatic compoundhydroxy acidorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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