| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:13 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H7N3O2 |
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| Molecular Mass | 213.0538 |
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| SMILES | N#Cc1c(-c2ccccc2)[nH]c(=O)[nH]c1=O |
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| InChI Key | WEHVDNFYECTOQI-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactamsnitrilesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidemonocyclic benzene moietycarbonic acid derivativenitrilelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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