| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:15 UTC |
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| Update Date | 2025-03-21 18:00:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027262 |
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| Frequency | 260.6 |
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| Structure | |
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| Chemical Formula | C9H12N2O |
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| Molecular Mass | 164.095 |
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| SMILES | CCCN=C(O)c1cccnc1 |
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| InChI Key | YIEIQMFWAGTFCB-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | nicotinamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboximidic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidaromatic heteromonocyclic compoundazacyclenicotinamideheteroaromatic compoundhydroxypyridinemethylpyridineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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