| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:29 UTC |
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| Update Date | 2025-03-25 00:48:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168136 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O8 |
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| Molecular Mass | 342.1315 |
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| SMILES | CC(Cc1ccc(OCC2OC(O)C(O)C(O)C2O)cc1)C(=O)O |
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| InChI Key | IBNHQPMWOFYJEA-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 | alkyl aryl etherscarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidealkyl aryl ethercarboxylic acid derivativephenylpropanesaccharideorganic oxidehemiacetaloxaneorganoheterocyclic compoundalcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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