| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:34:12 UTC |
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| Update Date | 2025-03-24 20:22:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01429296 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C8H11NO |
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| Molecular Mass | 137.0841 |
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| SMILES | CCc1cc(C)c(C=O)[nH]1 |
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| InChI Key | YOAFRGHBXHFCKH-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 derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxidearyl-aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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