| 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 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235071 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21ClO10 |
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| Molecular Mass | 432.0823 |
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| SMILES | COC(=O)C1OC(Oc2c(O)cc(CC3CCC(=O)O3)cc2Cl)C(O)C(O)C1O |
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| InChI Key | GAFQBIFJWSJTKF-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 | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl glycosidesaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundschlorobenzenesdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshalophenolshydrocarbon derivativesm-chlorophenolsmethyl estersmonosaccharideso-glucuronidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compoundorganochlorideo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidemethyl esteracetaloxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcohol3-halophenol3-chlorophenolpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonearyl halideoxacycleorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compoundalkyl glycoside |
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