| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:26 UTC |
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| Update Date | 2025-03-21 18:41:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135019 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H7NO2 |
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| Molecular Mass | 197.0477 |
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| SMILES | N#Cc1ccc2cc(C(=O)O)ccc2c1 |
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| InChI Key | OZXBANYHKBTOIN-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 | carboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilecarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound2-naphthalenecarboxylic acidcarbonitrileorganooxygen compound |
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