| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:34 UTC |
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| Update Date | 2025-03-21 18:03:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047136 |
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| Frequency | 70.7 |
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| Structure | |
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| Chemical Formula | C11H13NO8 |
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| Molecular Mass | 287.0641 |
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| SMILES | O=C(O)c1ccc(C(=O)O)n1C1OC(CO)C(O)C1O |
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| InChI Key | PFKPWHPGKGSESK-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 derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundmonosaccharidesubstituted pyrrolecarboxylic acid derivativesaccharideorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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