| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:21 UTC |
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| Update Date | 2025-03-21 18:02:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036999 |
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| Frequency | 95.4 |
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| Structure | |
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| Chemical Formula | C27H29ClN2O2 |
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| Molecular Mass | 448.1918 |
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| SMILES | NC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 |
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| InChI Key | PXJHDOGGBLQFRX-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 chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesfatty amideshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylacetamidesphenylpiperidinesprimary carboxylic acid amidestertiary alcoholstrialkylamines |
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| Substituents | primary carboxylic acid amidefatty acyldiphenylmethanecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganochloridefatty amidecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinephenylacetamidetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycletertiary aliphatic aminecarboxamide grouparyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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