| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:10 UTC |
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| Update Date | 2025-03-21 18:06:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062546 |
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| Frequency | 49.6 |
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| Structure | |
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| Chemical Formula | C11H8F3NO3 |
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| Molecular Mass | 259.0456 |
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| SMILES | O=C(O)Cc1c[nH]c2ccc(OC(F)(F)F)cc12 |
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| InChI Key | LAAJXUWSQJHLGS-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol etherspyrrolestrihalomethanes |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindolecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehalomethanetrihalomethaneazacyclealkyl fluorideorganofluorideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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