| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:23 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O11 |
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| Molecular Mass | 358.0536 |
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| SMILES | O=C(OC1C(O)C(C(=O)O)OC(O)(C(=O)O)C1O)c1ccccc1O |
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| InChI Key | FLQXNWUCYSGLSX-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssalicylic acid and derivativessecondary alcoholstricarboxylic acids and derivativesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidehemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidsalicylic acid or derivativeso-hydroxybenzoic acid esterpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid |
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