| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:19 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149518 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO6 |
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| Molecular Mass | 291.0743 |
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| SMILES | O=C(O)c1ccc(C(=O)O)n1CC(O)c1ccc(O)cc1 |
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| InChI Key | YHVYGZODLLBWDQ-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 | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsazacyclic compoundsbenzene and substituted derivativescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrroles |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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