| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:13 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO4 |
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| Molecular Mass | 245.0688 |
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| SMILES | Cc1ccc(-n2c(C(=O)O)ccc2C(=O)O)cc1 |
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| InChI Key | IYYDNABKYINKKS-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessubstituted pyrrolestoluenes |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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