| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:56 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18FNO3 |
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| Molecular Mass | 315.1271 |
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| SMILES | NCCCC1(c2ccc(F)cc2)COc2cc(C(=O)O)ccc21 |
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| InChI Key | VFJGXIFWSRUHES-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 | 1-phenylcoumarans |
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| Direct Parent | 1-phenylcoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl fluoridescarboxylic acidsfluorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylbutylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietyethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-phenylcoumaranorganofluoridearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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