| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:43 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251054 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H30O5 |
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| Molecular Mass | 350.2093 |
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| SMILES | O=C(O)CCCCCCCCCCCCOc1ccccc1C(=O)O |
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| InChI Key | YRTVYQHBQOSSSJ-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 compoundsalkyl aryl ethersbenzoic acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | carbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl grouplong-chain fatty acidethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxidehydroxy fatty acid1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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