| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:50 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203123 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H20O12 |
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| Molecular Mass | 476.0955 |
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| SMILES | O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)cc(=O)c21 |
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| InChI Key | AWLSZECWFSLJPM-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 benzenoidsacetalsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstroponesvinylogous esters |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholtroponepyran carboxylic acid or derivativesvinylogous esterhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidaryl ketone |
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