| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:39 UTC |
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| Update Date | 2025-03-25 00:57:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228036 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H7NO |
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| Molecular Mass | 157.0528 |
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| SMILES | C=C(C#N)C(=O)c1ccccc1 |
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| InChI Key | TXCCLXIYCKKTBM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-branched alpha,beta-unsaturated ketonesaryl ketoneshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonenitrilebenzoylalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compoundaryl ketone |
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