| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:11 UTC |
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| Update Date | 2025-03-21 18:39:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125077 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C11H12O2 |
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| Molecular Mass | 176.0837 |
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| SMILES | CC(C)c1cccc(C(=O)C=O)c1 |
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| InChI Key | XRSUNNPABZHECN-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 derivativescumeneshydrocarbon derivativesorganic oxidesphenylpropanes |
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| Substituents | carbonyl groupbenzoylaldehydeketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcumenehydrocarbon derivativealpha-ketoaldehydeorganooxygen compoundaryl ketonephenylacetaldehyde |
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