| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:43 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237201 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19ClO10 |
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| Molecular Mass | 406.0667 |
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| SMILES | O=C(O)C(COC1OC(C(=O)O)C(O)C(O)C1O)Cc1ccc(O)c(Cl)c1 |
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| InChI Key | IRXDTVIXBOIIMU-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 benzenoidsacetalsalkyl glycosidesaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesdicarboxylic acids and derivativesglucuronic acid derivativeshalophenolshydrocarbon derivativesmonosaccharideso-chlorophenolso-glucuronidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenylpropanoic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidemonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound3-phenylpropanoic-acidorganochlorideo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidaryl halide2-halophenoloxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compoundalkyl glycoside |
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