Record Information |
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HMDB Status | expected |
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Creation Date | 2024-02-20 23:36:00 UTC |
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Update Date | 2025-03-21 17:57:10 UTC |
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HMDB ID | HMDB0033835 |
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Metabolite Identification |
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DeepMet ID | DMID00006136 |
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Name | Propyl gallate |
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Frequency | 850.6 |
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Structure | |
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Chemical Formula | C10H12O5 |
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Molecular Mass | 212.0685 |
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SMILES | CCCOC(=O)c1cc(O)c(O)c(O)c1 |
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InChI Key | ZTHYODDOHIVTJV-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 derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundspyrogallols and derivativesm-hydroxybenzoic acid esters |
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Substituents | pyrogallol derivativebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativem-hydroxybenzoic acid esterorganooxygen compound |
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