| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:07 UTC |
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| Update Date | 2025-03-21 17:58:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013458 |
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| Frequency | 332.4 |
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| Structure | |
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| Chemical Formula | C16H18O9 |
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| Molecular Mass | 354.0951 |
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| SMILES | O=C1CCC(Cc2ccc(O)c(OC3OC(C(=O)O)C(O)C3O)c2)O1 |
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| InChI Key | XOKPZCLMPUMFMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxideacetalorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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