| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:57 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219739 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O4 |
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| Molecular Mass | 278.1518 |
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| SMILES | COC(=O)c1cc(C(C)C)ccc1C(=O)OCC(C)C |
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| InChI Key | XPPXYZVPEZWOQK-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 derivativescumenesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietymonocyclic monoterpenoidbenzoylbenzoic acid or derivativesbenzoate esterp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativescumenehydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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