| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:11 UTC |
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| Update Date | 2025-03-25 00:51:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190324 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO2 |
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| Molecular Mass | 163.0633 |
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| SMILES | CC(=O)C(C=O)=Cc1ccc[nH]1 |
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| InChI Key | SYQPKPGMVCZMPY-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 | beta ketoaldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesazacyclic compoundsenonesheteroaromatic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonearomatic heteromonocyclic compoundazacyclebeta-ketoaldehydeheteroaromatic compoundalpha,beta-unsaturated ketoneketoneorganic oxidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganoheterocyclic compoundenone |
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