| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:29 UTC |
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| Update Date | 2025-03-25 00:56:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H28O6 |
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| Molecular Mass | 352.1886 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1ccccc1C(O)CCC(=O)O |
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| InChI Key | BBVKSNMZTHWSCZ-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 | aromatic alcoholsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty alcoholshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholfatty acylcarbonyl groupcarboxylic acidbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundfatty alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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