| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:21 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 | DMID02250182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O10 |
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| Molecular Mass | 356.0743 |
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| SMILES | O=C(O)c1cccc(C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)c1O |
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| InChI Key | YKXBGYHWOQAJPK-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscyclohexanolshydrocarbon derivativesm-phthalic acid and derivativesorganic oxidessalicylic acidstertiary alcoholstricarboxylic acids and derivativesvinylogous acidsm-phthalate esterso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyltricarboxylic acid or derivativesbenzoate estersalicylic acidcarboxylic acid derivativeorganic oxidemeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidphthalate estermeta-phthalic acid estercyclohexanolbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidtertiary alcoholsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidquinic acid |
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