| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:10 UTC |
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| Update Date | 2025-03-25 00:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190284 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H27ClN4O5 |
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| Molecular Mass | 498.167 |
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| SMILES | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4)O3)cc2)CO1 |
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| InChI Key | KPZWPPBAEFKNIU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesacetamidesalkyl aryl ethersaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolanecarbonyl groupetheraromatic heteromonocyclic compoundorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxideacetalimidazoleketalorganonitrogen compoundorganopnictogen compounddialkylarylamineorganoheterocyclic compoundacetamideazolen-substituted imidazolearyl chloridechlorobenzeneazacycleaniline or substituted anilinesheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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