| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:38 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250848 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H25Cl2N3O8 |
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| Molecular Mass | 577.1019 |
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| SMILES | O=C(O)CC(NC(=O)Cc1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1)C(=O)O |
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| InChI Key | FGZCWRRAUGNQRI-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersalpha amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsphenylacetamidessecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolanecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneorganic oxideacetalimidazoleketalorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideorganoheterocyclic compoundazolen-substituted imidazolen-acyl-alpha amino acid or derivativesaryl chloridechlorobenzeneazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide grouparyl halideoxacyclesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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