| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:15 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154108 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O8 |
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| Molecular Mass | 374.1002 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(O)c1OC(=O)c1ccc(O)cc1O |
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| InChI Key | RUGCDCKXQJTHDE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | depsides and depsidones |
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| Subclass | depsides and depsidones |
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| Direct Parent | depsides and depsidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenol estersphenoxy compoundsresorcinolssalicylic acid and derivativestetrahydrofuransvinylogous acidso-hydroxybenzoic acid estersp-hydroxybenzoic acid esters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundp-hydroxybenzoic acid estermethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativeresorcinollactoneorganic oxideorganoheterocyclic compoundtetrahydrofuranbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma butyrolactoneoxacyclevinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esteranisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compounddepside backboneorganooxygen compound |
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