| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:18:59 UTC |
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| Update Date | 2025-03-21 20:52:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00387848 |
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| Frequency | 4.7 |
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| Structure | |
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| Chemical Formula | C6H8N2O2 |
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| Molecular Mass | 140.0586 |
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| SMILES | Cn1ccc(C(=O)O)c1N |
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| InChI Key | QANLTCOCVQBMES-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 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 derivativesn-methylpyrrolesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessubstituted pyrrolesvinylogous amides |
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| Substituents | n-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidsubstituted pyrrolecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundpyrrole-3-carboxylic acidamineorganooxygen compound |
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