| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:00 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162441 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O8 |
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| Molecular Mass | 300.0845 |
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| SMILES | O=C(O)CC(C(O)Cc1ccc(O)c(O)c1)C(O)C(=O)O |
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| InChI Key | HHRWSBCYYSMEEV-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 | carbocyclic 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 benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidbranched fatty acidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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