| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:31 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250581 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O10 |
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| Molecular Mass | 396.1056 |
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| SMILES | O=C1CCC(Cc2cc(O)cc(OC3OC(C(=O)O)C(C(=O)O)CC3O)c2)O1 |
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| InChI Key | HZWINFOUKODVKC-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalscarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativelactoneorganic oxideacetaloxanealcoholpyran carboxylic acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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