| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:41 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182361 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O12 |
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| Molecular Mass | 386.0485 |
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| SMILES | O=C(O)C1OC(O)C(Oc2c(O)oc3cc(O)cc(O)c3c2=O)C(O)C1O |
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| InChI Key | WKLZWWJEDPLRRV-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonescoumarins and derivativeshemiacetalsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | carbonyl groupethercarboxylic acidglucuronic acid or derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidechromonearomatic heteropolycyclic compoundpyranonehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcoumarinoxacyclevinylogous acidmonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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