| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:11 UTC |
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| Update Date | 2025-03-21 18:05:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057846 |
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| Frequency | 54.8 |
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| Structure | |
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| Chemical Formula | C9H12N2O3 |
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| Molecular Mass | 196.0848 |
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| SMILES | NCc1[nH]cc(CCC(=O)O)c1C=O |
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| InChI Key | SJBVONYTGRYRCY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaryl-aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
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