Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:25 UTC |
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Update Date | 2025-03-21 18:36:07 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00108948 |
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Frequency | 24.6 |
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Structure | |
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Chemical Formula | C17H20O9 |
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Molecular Mass | 368.1107 |
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SMILES | COC1(C(=O)O)CC(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1 |
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InChI Key | DSHJQVWTBAAJDN-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsorganic oxides |
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Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etherhydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideenoate estercyclohexanol1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
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