| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:02 UTC |
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| Update Date | 2025-03-25 00:49:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171652 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17N3O3 |
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| Molecular Mass | 287.127 |
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| SMILES | CN(CCCC1(C(=O)O)CCc2cc(C#N)ccc21)N=O |
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| InChI Key | ZBJCCZCMVMIQJY-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 | indanes |
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| Subclass | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic n-nitroso compoundsorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl grouporganic nitroso compoundnitrilecarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativeorganic n-nitroso compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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