| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:06 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O5 |
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| Molecular Mass | 228.0746 |
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| SMILES | NCc1[nH]cc(CC(O)C(=O)O)c1C(=O)O |
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| InChI Key | DQMDANXETMAVFB-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 | 1-carboxy-2-haloaromatic compoundsalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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