| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:42 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O2 |
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| Molecular Mass | 168.0899 |
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| SMILES | CNCCc1ccc(C(=O)O)[nH]1 |
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| InChI Key | CIVMYKJNIFZUBS-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 acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivatives |
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| Substituents | secondary aliphatic aminecarboxylic acidaromatic heteromonocyclic compoundazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary aminecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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