| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:38 UTC |
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| Update Date | 2025-03-25 00:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H7NO3 |
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| Molecular Mass | 213.0426 |
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| SMILES | N#Cc1c(O)cc(C(=O)O)c2ccccc12 |
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| InChI Key | UHUOCULUBYOJTN-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesnaphthols and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilecarboxylic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativehydroxybenzoic acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compound2-naphtholcarbonitrileorganooxygen compound |
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