| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:24 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183942 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O10 |
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| Molecular Mass | 382.09 |
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| SMILES | O=C1CCC(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3C(=O)O)cc2)O1 |
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| InChI Key | BHFZNDYBYFISNJ-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 compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxideacetaloxane1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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