| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:44 UTC |
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| Update Date | 2025-03-25 01:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246520 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H32O3 |
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| Molecular Mass | 332.2351 |
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| SMILES | CCC(CCC(C)=O)COC(=O)c1cc(C(C)C)ccc1C(C)C |
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| InChI Key | BCZGRQBNGGPWCN-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 derivativescarboxylic acid esterscumeneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanes |
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| Substituents | monocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidbenzoylbenzoic acid or derivativesbenzoate esterp-cymenecarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estercumenehydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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