| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:57 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196505 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H45N3O9 |
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| Molecular Mass | 639.3156 |
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| SMILES | CCC1=C(C)C(Cc2[nH]c(Cc3c(CCC(=O)O)c(C)c(CC(N)C(=O)O)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | KNHBWEYPRWDAIN-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolespyrrolinessecondary carboxylic acid amidestetracarboxylic acids and derivativesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidxyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesazacycleheteroaromatic compoundm-xylenetetracarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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