| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:15 UTC |
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| Update Date | 2025-03-25 00:55:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213516 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | COC(=O)C(=O)CC(O)c1ccccc1 |
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| InChI Key | PWKRBEIWNZSBRH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesaromatic alcoholsbenzene and substituted derivativesbeta-hydroxy ketoneshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholbeta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acid derivativeketonearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto acidsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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