| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:52 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221852 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O9 |
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| Molecular Mass | 318.0951 |
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| SMILES | OCC(O)C1OC(O)C(O)C(O)C1Oc1c(O)cccc1O |
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| InChI Key | TYNAAJMPWOKLTM-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethershemiacetalshydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharide1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherresorcinoloxacyclesaccharideorganic oxygen compoundsecondary alcoholhemiacetalhydrocarbon derivativephenoxy compoundoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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