| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:27 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 | DMID02156799 |
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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(OC1CC(O)(C(=O)O)CC(O)C1O)c1ccc(O)c(C(=O)O)c1 |
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| InChI Key | GJPUMTIHOPWODP-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 benzenoidsalpha hydroxy acids and derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscyclohexanolshydrocarbon derivativesm-phthalic acid and derivativesorganic oxidessalicylic acidstertiary alcoholstricarboxylic acids and derivativesvinylogous acidsm-phthalate estersp-hydroxybenzoic acid alkyl esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesbenzoate estersalicylic acidcarboxylic acid derivativeorganic oxidemeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidphthalate estermeta-phthalic acid estercyclohexanolbenzoic acid or derivativeshydroxy acidp-hydroxybenzoic acid alkyl esterhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidtertiary alcoholsalicylic acid or derivativescarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidquinic acid |
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