| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:24 UTC |
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| Update Date | 2025-03-25 00:51:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186246 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18ClNO2 |
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| Molecular Mass | 303.1026 |
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| SMILES | NCCCC1(c2ccc(O)c(Cl)c2)OCc2ccccc21 |
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| InChI Key | DLFOWPSNNGNECJ-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzenesdialkyl ethershalophenolshydrocarbon derivativesisocoumaransmonoalkylamineso-chlorophenolsorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | etherorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compounddialkyl etherphenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzenearyl halide2-halophenoloxacycleorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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