| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:42 UTC |
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| Update Date | 2025-03-21 18:03:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042618 |
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| Frequency | 80.1 |
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| Structure | |
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| Chemical Formula | C8H9NO5 |
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| Molecular Mass | 199.0481 |
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| SMILES | O=C(O)c1cccn1CC(O)C(=O)O |
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| InChI Key | PPZDDFYRNZYIAF-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 | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrroles |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclealpha-hydroxy acidheteroaromatic compoundsubstituted pyrrolehydroxy acidcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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