| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:57 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162312 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H25Cl2N3O5 |
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| Molecular Mass | 541.1171 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(NC2CCC(c3ccc(Cl)c(Cl)c3)c3ncccc32)cc1)C(=O)O |
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| InChI Key | AVFUOZJIZXKANC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | phenylquinolines |
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| Direct Parent | phenylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsaryl chloridesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdichlorobenzenesglutamic acid and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativeshydroxypyridinesn-acyl-alpha amino acidsorganic oxidesorganochloridesorganopnictogen compoundsphenylalkylaminespolyhalopyridinessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidphenylquinolineamino acid or derivativesamino acidpolyhalopyridineorganochloridebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundbenzamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-dichlorobenzene2-halopyridinen-acyl-alpha amino acid or derivativesaryl chloridechlorobenzeneazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundhydroxypyridinebenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearyl halidesecondary carboxylic acid amidepyridineorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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