| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:35 UTC |
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| Update Date | 2025-03-21 18:35:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106891 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C14H11NO2 |
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| Molecular Mass | 225.079 |
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| SMILES | CC(C(=O)O)c1ccc2cc(C#N)ccc2c1 |
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| InChI Key | YQAZILZBWQRUQQ-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupnitrilecarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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