| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:17 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H28N4O3 |
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| Molecular Mass | 396.2161 |
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| SMILES | CC(=O)N1CCN(c2ccc(OCC3CCC(c4ccc(N)nc4)O3)cc2)CC1 |
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| InChI Key | SORNJMOAVKLAEU-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 | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl ethersdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamsmethylpyridinesn-arylpiperazinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspolyhalopyridinesprimary aminestertiary carboxylic acid amidestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinealkyl aryl ethercarboxylic acid derivativedialkyl etherorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compound2-halopyridinedialkylarylamineimidolactamaminophenyl ethertertiary amineacetamideazacycletetrahydrofurananiline or substituted anilinesheteroaromatic compoundmethylpyridinecarboxamide groupphenylpiperazineoxacyclepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundaminen-arylpiperazineorganooxygen compound |
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