| 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 | DMID02239249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O |
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| Molecular Mass | 212.095 |
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| SMILES | N#Cc1ccc2c(C(O)CN)cccc2c1 |
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| InChI Key | PXLYKQAWTUFXCE-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 | aromatic alcoholshydrocarbon derivativesmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholnitrilearomatic homopolycyclic compoundnaphthaleneorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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