| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:06 UTC |
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| Update Date | 2025-03-25 00:53:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199197 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO8 |
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| Molecular Mass | 301.0798 |
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| SMILES | O=C(O)Cc1cc(C(=O)O)n(C2OC(CO)C(O)C2O)c1 |
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| InChI Key | UUUXNWDCOGDPLW-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 compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic 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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