| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:19 UTC |
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| Update Date | 2025-03-21 18:35:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103782 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C12H16FNO2 |
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| Molecular Mass | 225.1165 |
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| SMILES | NCCCC1(c2ccc(F)cc2)OCCO1 |
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| InChI Key | GOCRWQKOSCUNLY-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesaryl fluoridesfluorobenzeneshydrocarbon derivativesketalsmonoalkylaminesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluoridemeta-dioxolanearomatic heteromonocyclic compoundorganofluorideorganohalogen compoundaryl halideoxacyclefluorobenzenephenylbutylamineorganic oxygen compoundacetalketalorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganoheterocyclic compoundorganooxygen compound |
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