| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:49 UTC |
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| Update Date | 2025-03-21 18:05:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059359 |
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| Frequency | 53.0 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | O=C(O)C1CCN1CCC(O)c1cccnc1 |
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| InChI Key | YVLDAWMJTITETD-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 | 1,3-aminoalcoholsamino acidsaromatic alcoholsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidazetidinecarboxylic acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcohol1,3-aminoalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridineazetidinemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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