| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:09 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 | DMID02151479 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO2 |
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| Molecular Mass | 201.079 |
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| SMILES | N#Cc1ccc2c(c1)C(C(=O)O)CCC2 |
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| InChI Key | TVGATYUTIFYTKU-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 | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstetralins |
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| Substituents | tetralincarbonyl groupnitrilecarboxylic acidaromatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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