Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:04 UTC |
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Update Date | 2025-03-21 18:35:26 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105600 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C20H26O5 |
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Molecular Mass | 346.178 |
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SMILES | O=C(O)C=CCC=CCCCCCCCc1cccc(O)c1C(=O)O |
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InChI Key | AJTSHONCJSNSHN-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 | salicylic 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 derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesunsaturated fatty acidsvinylogous acids |
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Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidfatty acidsalicylic acidcarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxidemedium-chain fatty acidhydroxy fatty acid1-carboxy-2-haloaromatic compoundbenzoic acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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