| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:13 UTC |
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| Update Date | 2025-03-21 18:36:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108457 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C21H34O4 |
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| Molecular Mass | 350.2457 |
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| SMILES | O=C(O)CCCCCCCCCCCCCCc1cc(O)cc(O)c1 |
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| InChI Key | BNRSQPVAMYFUHH-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesresorcinols |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl grouplong-chain fatty acidcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehydroxy fatty acidbenzenoidorganooxygen compound |
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