| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:43 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202885 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21O13P |
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| Molecular Mass | 464.072 |
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| SMILES | O=C1CCC(Cc2cc(O)cc(OC3OC(C(=O)OP(=O)(O)O)C(O)C(O)C3O)c2)O1 |
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| InChI Key | FEQBCOSDRDCOOC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | hexose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacyl monophosphatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganic phosphoric acids and derivativesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranacyl monophosphatehydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholhexose phosphatedicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganic phosphoric acid derivativeacyl phosphate |
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