| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:12 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213407 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H23Br2NO |
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| Molecular Mass | 451.0146 |
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| SMILES | CN(C)CCCC1(c2ccc(Br)cc2)OCCc2cc(Br)ccc21 |
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| InChI Key | GGKMJOJDLKHZIB-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-benzopyransaryl bromidesbromobenzenesdialkyl ethershydrocarbon derivativesorganobromidesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | etherorganohalogen compounddialkyl etherphenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisochromanetertiary amineorganoheterocyclic compoundbenzopyrantertiary aliphatic aminebromobenzenearyl halideoxacycleorganic oxygen compound2-benzopyranorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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