| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:47 UTC |
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| Update Date | 2025-03-25 00:51:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189441 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O3 |
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| Molecular Mass | 262.1569 |
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| SMILES | CC(C)c1cccc(C2(C)CCC(C)(C(=O)O)O2)c1 |
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| InChI Key | VOUCELSRBDPRGA-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenylpropanestetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativedialkyl etherphenylpropaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcumenehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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