| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:56 UTC |
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| Update Date | 2025-03-21 18:04:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052644 |
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| Frequency | 61.8 |
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| Structure | |
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| Chemical Formula | C17H22N2O3 |
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| Molecular Mass | 302.163 |
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| SMILES | CN1C2CC(OC(=O)C(N)Cc3ccccc3)CC1C1OC12 |
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| InChI Key | AENXMBAIBYBWGN-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdialkyl ethersepoxidesfatty acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmorpholinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundspiperidinestrialkylamines |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupetherdialkyl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepiperidinetertiary amineorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid esterazacyclen-alkylpyrrolidinetertiary aliphatic amineoxiraneoxazinaneoxacyclefatty acid estermorpholinemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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