| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:11 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O9 |
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| Molecular Mass | 364.0794 |
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| SMILES | O=C(C=Cc1coc2ccccc12)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | MJOKJVDJGXCVPZ-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 | acetalsbenzenoidsbenzofuransbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersfuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylfurancarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativesbenzofuranheteroaromatic compoundhydroxy acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid |
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