| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:03 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244889 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H30N2O3 |
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| Molecular Mass | 334.2256 |
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| SMILES | CN(C)CC(c1ccc(CC(N)C(=O)O)cc1)C1(O)CCCCC1 |
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| InChI Key | KAOPIPJPXUQVIE-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsalpha amino acidsamino acidsamphetamines and derivativesaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundsphenylpropanoic acidstertiary alcoholstrialkylamines |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidamino acidp-cymeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineamphetamine or derivativesalcohol1,3-aminoalcoholtertiary aliphatic aminecyclohexanolcyclic alcoholaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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