| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:34 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135335 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C27H28ClNO |
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| Molecular Mass | 417.1859 |
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| SMILES | OC1(c2ccc(Cl)cc2)CCN(CC2c3ccccc3CCc3ccccc32)CC1 |
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| InChI Key | DQYLOAAHLNFYSG-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 | dibenzocycloheptenes |
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| Subclass | dibenzocycloheptenes |
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| Direct Parent | dibenzocycloheptenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundschlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenylpiperidinestertiary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietyorganochlorideorganohalogen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycletertiary aliphatic aminedibenzocycloheptenearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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