| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:30 UTC |
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| Update Date | 2025-03-25 00:49:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175039 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O4 |
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| Molecular Mass | 262.1205 |
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| SMILES | CCCCCC=C(OC(=O)c1ccccc1)C(=O)O |
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| InChI Key | BFEQBKZZUWHNCW-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenol estershydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoylfatty acidbenzoate estercarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundunsaturated fatty acidorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidenol esterorganooxygen compound |
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