| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:41 UTC |
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| Update Date | 2025-03-21 18:40:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128713 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C13H16O7 |
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| Molecular Mass | 284.0896 |
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| SMILES | COc1cc(CC2OC(=O)C(O)C(O)C2O)ccc1O |
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| InChI Key | SKIWZAQWBMLCEK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | gluconolactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidegluconolactoneoxanedelta_valerolactoneorganoheterocyclic compoundalcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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