| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:36 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182174 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O8 |
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| Molecular Mass | 322.0689 |
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| SMILES | O=C(O)C1OC(c2cc3ccccc3oc2=O)C(O)C(O)C1O |
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| InChI Key | AUIOPDZPUGTOFL-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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumarins and derivativesdialkyl ethersglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyranmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherlactonebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundc-glucuronidealcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidcoumarinoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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