| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:52 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200982 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O12 |
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| Molecular Mass | 418.1111 |
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| SMILES | COc1cc(C=CC(=O)OOC2OC(C(O)O)C(O)C(O)C2O)cc(OC)c1O |
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| InChI Key | KJTBDQOESFRZCY-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarbonyl hydratesdimethoxybenzeneshydrocarbon derivativesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesperoxycarboxylic acids and derivativesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compoundmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativedimethoxybenzenesaccharideorganic oxideperoxycarboxylic acid or derivativesoxaneorganoheterocyclic compoundalcoholmethoxybenzenehydroxycinnamic acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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