| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:18 UTC |
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| Update Date | 2025-03-25 00:53:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199661 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12F3N3O |
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| Molecular Mass | 259.0932 |
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| SMILES | N=C(N)N1Cc2ccccc2C(O)(C(F)(F)F)C1 |
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| InChI Key | LMMSUSANXAHVNN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundsbenzenoidscarboximidamidesfluorohydrinsguanidineshydrocarbon derivativesiminesorganofluoridesorganopnictogen compoundstertiary alcohols |
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| Substituents | alcoholazacyclehalohydringuanidinealkyl fluorideimineorganofluoridecarboximidamidefluorohydrinorganohalogen compoundtertiary alcoholorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundalkyl halidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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