| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:51 UTC |
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| Update Date | 2025-03-21 18:38:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119655 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C21H28O5 |
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| Molecular Mass | 360.1937 |
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| SMILES | O=C(O)CC=CCC=CCCCCCCCc1cccc(O)c1C(=O)O |
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| InChI Key | MBIWVAYKEJEINE-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 | long-chain fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessalicylic acidsvinylogous acids |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl grouplong-chain fatty acidcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxidehydroxy fatty acid1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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