| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:39 UTC |
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| Update Date | 2025-03-25 00:59:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234798 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26N2O6 |
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| Molecular Mass | 354.1791 |
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| SMILES | Cc1cccc(C)c1NC(=O)CN(C)CC(O)C(O)CC(O)C(=O)O |
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| InChI Key | FEZHIURTPAADPM-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 acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,3-aminoalcoholsalpha amino acidsalpha hydroxy acids and derivativesamino acidsamino fatty acidsanilidescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestrialkylaminesm-xylenes |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidfatty acidn-arylamidemedium-chain hydroxy acidxyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidtertiary aminealcohol1,3-aminoalcoholalpha-amino acid amide1,2-aminoalcoholtertiary aliphatic aminem-xylenehydroxy acidcarboxamide groupamino fatty acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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