| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:13 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9NO4 |
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| Molecular Mass | 231.0532 |
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| SMILES | O=C(O)c1ccc(C(=O)O)n1-c1ccccc1 |
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| InChI Key | QXIKNMLAVLFEBM-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 compoundsbenzene and substituted derivativescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessubstituted pyrroles |
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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 compoundorganooxygen compound |
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