| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:40 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157265 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O9 |
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| Molecular Mass | 416.1107 |
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| SMILES | O=C1CCc2ccccc2-c2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c21 |
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| InChI Key | PHTRVGHARWRJFK-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidaryl alkyl ketoneo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
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