| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:42 UTC |
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| Update Date | 2025-03-25 00:47:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18ClNO |
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| Molecular Mass | 287.1077 |
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| SMILES | NCCCC1(c2ccc(Cl)cc2)Cc2ccccc2O1 |
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| InChI Key | LJAOSTZJMLPUAH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | 2-arylbenzofuran flavonoids |
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| Subclass | 2-arylbenzofuran flavonoids |
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| Direct Parent | 2-arylbenzofuran flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chlorideschlorobenzenescoumaranshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylbutylamines |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietyether2-arylbenzofuran flavonoidorganochloridealkyl aryl etherorganohalogen compoundaryl halideoxacyclephenylbutylamineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganoheterocyclic compoundcoumaranorganooxygen compound |
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