| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:10 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151509 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO2 |
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| Molecular Mass | 241.1103 |
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| SMILES | N#Cc1ccc2c(c1)CC=C2CCCCC(=O)O |
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| InChI Key | HJNLUWFMPRKLGY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | indenes and isoindenes |
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| Subclass | indenes and isoindenes |
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| Direct Parent | indenes and isoindenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | amino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupnitrilecarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativeamino fatty acidorganic oxidemonocarboxylic acid or derivativesindeneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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