| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:20 UTC |
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| Update Date | 2025-03-21 17:57:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006917 |
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| Frequency | 739.5 |
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| Structure | |
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| Chemical Formula | C18H22O9 |
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| Molecular Mass | 382.1264 |
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| SMILES | COc1ccc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)cc1OC |
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| InChI Key | APEFOPDKJHJJAX-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 | alkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscinnamic acids and derivativescyclohexanolsdicarboxylic acids and derivativesdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativedimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideo-dimethoxybenzeneenoate estercyclohexanolhydroxy acidmethoxybenzenearomatic homomonocyclic compoundfatty acid estertertiary alcoholanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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