| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:08 UTC |
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| Update Date | 2025-03-21 18:38:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122662 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C18H20O11 |
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| Molecular Mass | 412.1006 |
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| SMILES | O=C1CCC(Cc2ccc(C(=O)OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)O1 |
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| InChI Key | JXLXFTSSAKPNMH-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 benzenoidsacetalsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssalicylic acid and derivativessecondary alcoholstetrahydrofuranstricarboxylic acids and derivativesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclevinylogous acidsalicylic acid or derivativeso-hydroxybenzoic acid esterpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid |
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