| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:11 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14FNO2 |
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| Molecular Mass | 271.1009 |
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| SMILES | O=C(O)CC1(c2ccc(F)cc2)CNc2ccccc21 |
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| InChI Key | XUBMGUUNEDACOV-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsfluorobenzeneshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidindolecarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindoleorganoheterocyclic compoundazacycleorganofluorideindole or derivativessecondary aminesecondary aliphatic/aromatic aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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