| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:59 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171547 |
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| Frequency | 0.5 |
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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(C)Cc1ccc(C=O)n1CCCC(=O)O |
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| InChI Key | HXHUITNTCGKLPT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | aralkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssubstituted pyrrolestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidsubstituted pyrrolecarboxylic acid derivativearalkylamineorganic oxidearyl-aldehydeorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic aminealdehydemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganooxygen compound |
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