| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:29 UTC |
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| Update Date | 2025-03-25 00:49:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O2 |
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| Molecular Mass | 268.1463 |
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| SMILES | CCCC(COC(=O)c1ccccc1)c1ccccc1 |
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| InChI Key | XDBGQBUVJCXPHU-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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