| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:18 UTC |
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| Update Date | 2025-03-25 00:57:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227254 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N2O2 |
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| Molecular Mass | 154.0742 |
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| SMILES | CC(C)c1[nH][nH]c(=O)c1C=O |
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| InChI Key | VAWHMQYPJVPJCJ-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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