| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:26 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156788 |
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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(OC1C(O)CC(O)(C(=O)O)CC1O)c1cccc(O)c1C(=O)O |
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| InChI Key | YSGUZXSKMJZWNR-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-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscyclohexanolshydrocarbon derivativesorganic oxidessalicylic acidstertiary alcoholstricarboxylic acids and derivativesvinylogous acidsm-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesbenzoate estersalicylic acidcarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-hydroxybenzoic acid estercyclohexanolbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidtertiary alcoholsalicylic acid or derivativescarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidquinic acid |
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