| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:43 UTC |
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| Update Date | 2025-03-25 01:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H32N2O5 |
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| Molecular Mass | 416.2311 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1c(C)c(C)c(CC(N)C(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | LOKUIWSTNMOKQO-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesazacyclecarboxamide groupsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundpyrrolinedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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