| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:34 UTC |
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| Update Date | 2025-03-21 18:34:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099415 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C5H6N2O2 |
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| Molecular Mass | 126.0429 |
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| SMILES | Nc1cc[nH]c1C(=O)O |
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| InChI Key | MFBSDWRZRAMFAA-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 | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrrole carboxylic acids and derivativesvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleamino acid or derivativesamino acidheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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