| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:57 UTC |
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| Update Date | 2025-03-21 18:40:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131723 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | O=C(O)CCCc1c(C(=O)O)[nH]c2ccccc12 |
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| InChI Key | IAFOXRHFSQERNU-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivatives |
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| Substituents | indolecarboxylic acid derivativecarbonyl groupcarboxylic acidazacycleindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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