| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:55:42 UTC |
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| Update Date | 2025-03-24 20:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01623177 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C41H48O32 |
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| Molecular Mass | 1052.2129 |
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| SMILES | O=C(O)C1OC(Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(C3CC(O)(C(=O)O)Cc4c(cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4OC4OC(C(=O)O)C(O)C(O)C4O)O3)c2)C(O)C(O)C1O |
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| InChI Key | IUIOHXOJSXLNOW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersalkyl glycosidesalpha hydroxy acids and derivativesbenzoxepinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty acyl glycosides of mono- and disaccharidesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstertiary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesbenzoxepinealpha-hydroxy acido-glucuronidemonosaccharidealkyl aryl etherpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidpentacarboxylic acid or derivativesoxacycletertiary alcoholorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
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