| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:21 UTC |
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| Update Date | 2025-03-21 18:38:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118480 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C16H22O5 |
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| Molecular Mass | 294.1467 |
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| SMILES | CCC(CCCC(=O)O)COC(=O)c1ccccc1CO |
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| InChI Key | HJGDANXFJOOCJE-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 derivativesbenzyl alcoholsbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxides |
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| Substituents | aromatic alcoholfatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoylfatty acidbenzoate estercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholbenzyl alcoholbranched fatty acidaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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