| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:36 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170669 |
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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)CCc1cccc(CC(=O)O)c1 |
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| InChI Key | GXSKONGKOUSNJJ-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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