| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:51 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253563 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H30O17 |
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| Molecular Mass | 578.1483 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1OC(C(=O)O)C(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C1O |
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| InChI Key | WVBPOOXMKKTBMG-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethersfatty acid estersglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronideorganic oxideacetalhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid |
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