| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:16 UTC |
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| Update Date | 2025-03-21 17:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022633 |
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| Frequency | 174.9 |
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| Structure | |
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| Chemical Formula | C13H16O |
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| Molecular Mass | 188.1201 |
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| SMILES | CCCCC=C(C=O)c1ccccc1 |
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| InChI Key | QLPQBBKURUJKRJ-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 | aldehydeshydrocarbon derivativesorganic oxides |
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| Substituents | aromatic homomonocyclic compoundcarbonyl grouporganic oxideorganic oxygen compoundaldehydehydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
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