| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:54 UTC |
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| Update Date | 2025-03-25 00:57:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224241 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15ClO9 |
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| Molecular Mass | 374.0405 |
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| SMILES | O=C(C=Cc1ccc(O)cc1Cl)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | RUUIMKRYEXHWBM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshalophenolshydrocarbon derivativeshydroxycinnamic acidsm-chlorophenolsmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochlorideo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidhydroxycinnamic acid or derivatives1-o-glucuronidealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundaryl chlorideenoate esterchlorobenzenealcohol3-halophenol3-chlorophenolpyran carboxylic acid or derivativeshydroxy acidhydroxycinnamic acidaryl halideoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidhalobenzene |
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