| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:30 UTC |
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| Update Date | 2025-03-25 00:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223332 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H24ClN3O5 |
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| Molecular Mass | 457.1404 |
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| SMILES | NC(Cc1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3)O2)cc1)C(=O)O |
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| InChI Key | BOZXUHLFXKBQHN-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 | 1,3-dioxolanesalkyl aryl ethersalpha amino acidsamphetamines and derivativesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolanecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganochloridealkyl aryl etherorganohalogen compoundorganic oxideacetalimidazoleketalorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesazolen-substituted imidazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundaryl halideoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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