| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:56 UTC |
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| Update Date | 2025-03-21 17:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017427 |
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| Frequency | 254.6 |
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| Structure | |
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| Chemical Formula | C14H20N2O5 |
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| Molecular Mass | 296.1372 |
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| SMILES | CC(=O)NC(CCCCn1c(C=O)ccc1CO)C(=O)O |
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| InChI Key | KHSGXBFYCSMNPA-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino fatty acidsaromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidsubstituted pyrrolemedium-chain hydroxy acidorganic oxidearyl-aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundacetamidealcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundaldehydecarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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