| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:37 UTC |
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| Update Date | 2025-03-21 18:34:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099555 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C12H18N2O3 |
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| Molecular Mass | 238.1317 |
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| SMILES | CN(CCCC(O)c1cccnc1)CC(=O)O |
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| InChI Key | JTTLGIMKSPFCLF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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