| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:47:53 UTC |
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| Update Date | 2025-03-21 20:03:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00314507 |
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| Frequency | 6.2 |
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| Structure | |
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| Chemical Formula | C4H4N2O2 |
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| Molecular Mass | 112.0273 |
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| SMILES | O=Cc1c[nH][nH]c1=O |
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| InChI Key | CQEVJDCGXNFXTI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrazolonesvinylogous amides |
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| Substituents | vinylogous amidelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundazolepyrazolinone |
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