| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:23 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206696 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O11 |
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| Molecular Mass | 372.0693 |
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| SMILES | O=C(Cc1ccc(O)c(O)c1)OC1C(C(=O)O)OC(C(=O)O)C(O)C1O |
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| InChI Key | XTAZFCWPVBXYJO-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxideoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid |
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