| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:42 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177857 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO3 |
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| Molecular Mass | 165.0426 |
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| SMILES | N#Cc1c(O)cc(O)cc1CO |
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| InChI Key | KLMWAZNKEVLGLF-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzonitrilesbenzyl alcoholshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietynitrile1-hydroxy-2-unsubstituted benzenoidbenzyl alcohol1-hydroxy-4-unsubstituted benzenoidbenzonitrileresorcinolaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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