| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:15 UTC |
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| Update Date | 2025-03-21 18:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029545 |
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| Frequency | 126.4 |
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| Structure | |
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| Chemical Formula | C9H8O2 |
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| Molecular Mass | 148.0524 |
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| SMILES | Cc1ccc(C(=O)C=O)cc1 |
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| InChI Key | NGKHHEDLAUNMFD-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 | phenylacetaldehydes |
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| Direct Parent | phenylacetaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha ketoaldehydesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidestoluenes |
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| Substituents | carbonyl groupbenzoylaldehydeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativetoluenealpha-ketoaldehydeorganooxygen compoundaryl ketonephenylacetaldehyde |
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