| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:23 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183891 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O10 |
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| Molecular Mass | 382.09 |
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| SMILES | O=C1COC(=O)C1Cc1cccc(OC2OC(O)C(O)C(O)C2C(=O)O)c1 |
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| InChI Key | JSLABBFLQZTZLF-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-diols1,3-dicarbonyl compoundsacetalsbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesfuranonesgamma butyrolactoneshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecyclic ketonecarboxylic acid derivativeketonelactonebeta-hydroxy acidsaccharideorganic oxideacetalhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundphenoxy compound3-furanoneorganooxygen compound |
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