| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:52 UTC |
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| Update Date | 2025-03-21 18:06:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064217 |
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| Frequency | 47.9 |
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| Structure | |
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| Chemical Formula | C18H22O11 |
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| Molecular Mass | 414.1162 |
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| SMILES | O=C1CCC(Cc2cc(OC3C(O)C(O)C(O)C(O)C3C(=O)O)c(O)cc2O)O1 |
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| InChI Key | QHYZAPMWAYIZNR-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 | 4-alkoxyphenols |
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| Direct Parent | 4-alkoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundsresorcinolstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeresorcinollactonebeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcohol4-alkoxyphenoltetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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