| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:27 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 | DMID02168045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26O9 |
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| Molecular Mass | 434.1577 |
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| SMILES | CC(CCc1ccc(O)cc1)c1ccc(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | BGJWVTBTOASFEW-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 | linear 1,3-diarylpropanoids |
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| Subclass | cinnamylphenols |
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| Direct Parent | cinnamylphenols |
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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 acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecinnamylphenolcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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