| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:34 UTC |
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| Update Date | 2025-03-21 18:35:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104396 |
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| Frequency | 26.0 |
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| Structure | |
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| Chemical Formula | C16H22O11 |
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| Molecular Mass | 390.1162 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1OC(O)C(O)C(C(O)O)O1 |
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| InChI Key | NUYIYOGNAPZIEG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | orthocarboxylic acid derivatives |
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| Subclass | carboxylic acid orthoesters |
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| Direct Parent | carboxylic acid orthoesters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,1-diols1,3-dioxanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarbonyl hydratescarboxylic acid estersfatty acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid orthoestercarboxylic acid derivativeorganic oxidehemiacetalorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoid1,1-dioloxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidmeta-dioxaneorganooxygen compound |
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