| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:43 UTC |
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| Update Date | 2025-03-21 18:04:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052153 |
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| Frequency | 62.4 |
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| Structure | |
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| Chemical Formula | C19H22O11 |
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| Molecular Mass | 426.1162 |
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| SMILES | COc1ccc(CC2CCC(=O)O2)cc1OC1OC(C(=O)O)C(O)C(O)C1C(=O)O |
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| InChI Key | XPLYGFYRGQVLIT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxideacetaloxane1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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