| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:46 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235089 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O8 |
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| Molecular Mass | 366.1315 |
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| SMILES | COC(=O)C1OC(Oc2ccc(CC3CCC(=O)O3)cc2)CC(O)C1O |
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| InChI Key | UNYJPBQOQCDSHF-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-diolsacetalsbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethyl estersmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxidemethyl esteracetaloxane1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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