| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:32 UTC |
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| Update Date | 2025-03-21 18:38:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123559 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C14H14O9 |
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| Molecular Mass | 326.0638 |
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| SMILES | O=C(O)C1OC(Oc2coc3ccc(O)cc23)C(O)C(O)C1O |
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| InChI Key | AELLFGSBVCHKKC-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsbenzenoidsbenzofuransbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | furancarbonyl groupcarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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