| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:39 UTC |
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| Update Date | 2025-03-25 00:45:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150333 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | COC(=O)CCC(=O)C(O)c1ccccc1 |
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| InChI Key | DNHWGOKOHLGDNG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesaromatic alcoholsbenzene and substituted derivativesfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholfatty acylmonocyclic benzene moietycarbonyl groupmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidemethyl esteralcoholgamma-keto acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesfatty acid methyl esterorganic oxygen compoundacyloincarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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