| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:50 UTC |
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| Update Date | 2025-03-21 18:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030940 |
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| Frequency | 119.7 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | COC(=O)c1ccc(C(C)C)cc1 |
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| InChI Key | IPIVTJSCIHXKOE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acid estersbenzoyl derivativescumeneshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietymonocyclic monoterpenoidbenzoylbenzoic acid or derivativesbenzoate esterp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estercumenehydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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