| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:33 UTC |
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| Update Date | 2025-03-25 00:49:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177517 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | N#Cc1ccc(O)c(C2OC(CO)C(O)C2O)c1 |
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| InChI Key | RERHUBUBGHGBFE-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 | benzene and substituted derivatives |
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| Subclass | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsdialkyl ethershydrocarbon derivativesmonosaccharidesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | ethernitrilearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidedialkyl ethersaccharideorganonitrogen compoundorganopnictogen compoundprimary alcoholcarbonitrileorganoheterocyclic compoundalcoholtetrahydrofuranbenzonitrileoxacycleorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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