| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:55 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166889 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O6 |
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| Molecular Mass | 282.1103 |
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| SMILES | CC(C)(CCC(=O)O)COC(=O)c1ccc(O)c(O)c1 |
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| InChI Key | INOLPNLDXBYNND-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 | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesm-hydroxybenzoic acid esters |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativem-hydroxybenzoic acid esterorganooxygen compound |
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