| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:54 UTC |
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| Update Date | 2025-03-25 00:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235391 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O6 |
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| Molecular Mass | 310.1416 |
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| SMILES | Cc1ccc(C(C)C)c(OC2CC(O)C(O)C(C(=O)O)O2)c1 |
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| InChI Key | RXNJKNCSKGVYNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | terpene glycosides |
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| Direct Parent | terpene glycosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsaromatic monoterpenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanespyran carboxylic acidssecondary alcoholstoluenes |
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| Substituents | monoterpenoidphenol ethermonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidep-cymenecarboxylic acid derivativepyran carboxylic acidphenylpropanebeta-hydroxy acidsaccharideorganic oxideacetalcumeneoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesterpene glycosidehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundtolueneorganooxygen compoundaromatic monoterpenoid |
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