| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:30 UTC |
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| Update Date | 2025-03-25 00:54:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209290 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10F3NO2 |
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| Molecular Mass | 257.0664 |
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| SMILES | CC1(C)Oc2cc(C#N)ccc2C1(O)C(F)(F)F |
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| InChI Key | HAKJTXHFBBYYCN-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl fluoridesbenzenoidsfluorohydrinshydrocarbon derivativesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstertiary alcohols |
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| Substituents | alcoholethernitrilehalohydrinalkyl fluorideorganofluoridealkyl aryl etherfluorohydrinorganohalogen compoundoxacycletertiary alcoholorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrilecoumaranorganooxygen compound |
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