| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:27 UTC |
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| Update Date | 2025-03-21 18:40:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130508 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C8H5NO2 |
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| Molecular Mass | 147.032 |
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| SMILES | N#Cc1ccc2c(c1)OCO2 |
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| InChI Key | PKRWWZCDLJSJIF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbenzenoidshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | nitrileoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compoundbenzodioxole |
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