Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:16:33 UTC |
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Update Date | 2025-03-21 18:34:40 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00101886 |
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Frequency | 26.8 |
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Structure | |
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Chemical Formula | C19H20O10 |
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Molecular Mass | 408.1056 |
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SMILES | OCC1OC(Oc2cc3c(cc2-c2ccc(O)c(O)c2)OCO3)C(O)C(O)C1O |
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InChI Key | JBUTXYMXSDYBAU-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organoheterocyclic compounds |
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Class | benzodioxoles |
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Subclass | benzodioxoles |
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Direct Parent | benzodioxoles |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativeshydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanesphenol ethersprimary alcoholssecondary alcohols |
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Substituents | alcoholphenol ethermonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidmonosaccharide1-hydroxy-4-unsubstituted benzenoidoxacyclesaccharideorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidoxaneprimary alcoholorganooxygen compoundbenzodioxole |
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