| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:47 UTC |
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| Update Date | 2025-03-25 00:49:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO2 |
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| Molecular Mass | 257.1416 |
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| SMILES | CCC1(CCC(=O)O)CCCc2cc(C#N)ccc21 |
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| InChI Key | MIPPTEMASFHQRC-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 | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | amino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acyltetralincarbocyclic fatty acidcarbonyl groupnitrilecarboxylic acidfatty acidaromatic homopolycyclic compoundcarboxylic acid derivativeamino fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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