| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:45 UTC |
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| Update Date | 2025-03-25 01:00:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241845 |
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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 | CC(O)CCCC=CC(=O)c1ccccc1C(=O)O |
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| InChI Key | XRFCBKFFMFIRIB-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 alcohols |
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| Direct Parent | fatty alcohols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha,beta-unsaturated ketonesaryl ketonesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarboxylic acidbenzoylbenzoic acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compoundaryl ketone |
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