| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 15:20:06 UTC |
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| Update Date | 2025-03-25 01:01:09 UTC |
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| HMDB ID | HMDB0240445 |
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| Metabolite Identification |
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| DeepMet ID | DMID02247382 |
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| Name | 3,4-Dihydroxyphenylvaleric acid 3 glucuronide |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O10 |
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| Molecular Mass | 386.1213 |
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| SMILES | O=C(O)CCCCc1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | PFXCVFMGZFVRNQ-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 | saccharolipids |
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| Subclass | saccharolipids |
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| Direct Parent | saccharolipids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundheterocyclic fatty acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidefatty acidcarboxylic acid derivativepyran carboxylic acidmedium-chain hydroxy acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundsaccharolipidorganooxygen compound |
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