| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:59 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196570 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O6 |
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| Molecular Mass | 306.1103 |
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| SMILES | CCC(CCC(=O)O)COC(=C=O)c1ccccc1C(=O)O |
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| InChI Key | LCWWICUCJADXHN-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 acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativesbranched fatty acidscarbonyl compoundsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesynolates |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundynolatedicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidbenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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