| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:29 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161258 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H33N3O3 |
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| Molecular Mass | 435.2522 |
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| SMILES | NC(Cc1ccc(C(O)CCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1)C(=O)O |
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| InChI Key | QETDNPQXNNBHML-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 acidsamino acidsamphetamines and derivativesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminesphenylpropanoic acidspiperidinespyrrolessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidindoleorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundamphetamine or derivativesalcoholazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativesmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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