Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:13 UTC |
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Update Date | 2025-03-25 00:50:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181326 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C15H20O9 |
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Molecular Mass | 344.1107 |
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SMILES | O=C(O)CCc1cc(OCC2OC(O)C(O)C(O)C2O)ccc1O |
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InChI Key | QKMMCWJQYNOUDW-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | phenylpropanoids and polyketides |
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Class | phenylpropanoic acids |
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Subclass | phenylpropanoic acids |
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Direct Parent | phenylpropanoic acids |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl etherscarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxidehemiacetaloxaneorganoheterocyclic compoundalcohol4-alkoxyphenoloxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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