| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:03 UTC |
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| Update Date | 2025-03-21 18:37:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115314 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C13H20N2O4 |
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| Molecular Mass | 268.1423 |
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| SMILES | CNC(CCCCn1c(C=O)ccc1CO)C(=O)O |
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| InChI Key | JGMFAHIJMOUMRK-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 acidsamino fatty acidsaromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsdialkylaminesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidfatty acidsubstituted pyrrolemedium-chain hydroxy acidorganic oxidearyl-aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundaldehydesecondary amineamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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