| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:38 UTC |
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| Update Date | 2025-03-21 18:29:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075639 |
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| Frequency | 39.1 |
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| Structure | |
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| Chemical Formula | C29H32BrClN2O2 |
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| Molecular Mass | 554.1336 |
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| SMILES | CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccc(Br)cc1 |
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| InChI Key | KINXQBWFJZCCBL-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 | benzene and substituted derivatives |
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| Subclass | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesaryl bromidesaryl chloridesazacyclic compoundsbromobenzenescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesn-acyl aminesorganic oxidesorganobromidesorganochloridesorganopnictogen compoundsphenylacetamidesphenylpiperidinestertiary alcoholstertiary carboxylic acid amidestrialkylamines |
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| Substituents | diphenylmethanecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpiperidinephenylacetamidetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycletertiary aliphatic aminebromobenzenecarboxamide groupn-acyl-aminearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidineorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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