Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 23:21:17 UTC |
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Update Date | 2022-03-07 02:55:37 UTC |
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HMDB ID | HMDB0038069 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Gomphrenol 3-methylether 4'-glucuronide |
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Description | Gomphrenol 3-methylether 4'-glucuronide belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Gomphrenol 3-methylether 4'-glucuronide has been detected, but not quantified in, green vegetables and spinaches (Spinacia oleracea). This could make gomphrenol 3-methylether 4'-glucuronide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Gomphrenol 3-methylether 4'-glucuronide. |
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Structure | COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1 InChI=1S/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30) |
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Synonyms | Value | Source |
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3,4,5-Trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylate | Generator |
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Chemical Formula | C23H20O13 |
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Average Molecular Weight | 504.3971 |
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Monoisotopic Molecular Weight | 504.090390726 |
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IUPAC Name | 3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid |
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Traditional Name | 3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1 |
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InChI Identifier | InChI=1S/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30) |
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InChI Key | QZRLCSNTKHSVAP-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Flavonoid glycosides |
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Direct Parent | Flavonoid O-glucuronides |
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Alternative Parents | |
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Substituents | - Flavonoid-4p-o-glucuronide
- 3-methoxyflavonoid-skeleton
- 5-hydroxyflavonoid
- Hydroxyflavonoid
- Flavone
- Phenolic glycoside
- O-glucuronide
- 1-o-glucuronide
- 3-methoxychromone
- Glucuronic acid or derivatives
- O-glycosyl compound
- Glycosyl compound
- Chromone
- Benzopyran
- 1-benzopyran
- Benzodioxole
- Phenoxy compound
- Phenol ether
- Pyranone
- Alkyl aryl ether
- Beta-hydroxy acid
- 1-hydroxy-4-unsubstituted benzenoid
- Monocyclic benzene moiety
- Benzenoid
- Pyran
- Hydroxy acid
- Oxane
- Monosaccharide
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Polyol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Hydrocarbon derivative
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Gomphrenol 3-methylether 4'-glucuronide,1TMS,isomer #1 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4382.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TMS,isomer #2 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4314.4 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TMS,isomer #3 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4372.0 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TMS,isomer #4 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4342.9 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TMS,isomer #5 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4367.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #1 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4331.5 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #10 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4296.3 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #2 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4265.1 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #3 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4319.0 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #4 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4290.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #5 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4289.9 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #6 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4275.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #7 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4269.2 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #8 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4365.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TMS,isomer #9 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4306.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #1 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4247.4 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #10 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4285.1 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #2 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4284.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #3 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4256.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #4 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4219.1 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #5 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4217.9 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #6 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4247.0 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #7 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4269.9 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #8 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4266.2 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TMS,isomer #9 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4228.4 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,4TMS,isomer #1 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4211.3 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,4TMS,isomer #2 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4232.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,4TMS,isomer #3 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4226.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,4TMS,isomer #4 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4190.0 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,4TMS,isomer #5 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4238.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,5TMS,isomer #1 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C)=C2C1=O | 4186.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TBDMS,isomer #1 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4665.1 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TBDMS,isomer #2 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4595.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TBDMS,isomer #3 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4660.5 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TBDMS,isomer #4 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4628.0 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,1TBDMS,isomer #5 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4635.0 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #1 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4801.4 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #10 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4790.2 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #2 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4767.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #3 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4820.7 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #4 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4791.2 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #5 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4782.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #6 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4780.7 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #7 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4769.0 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #8 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4838.2 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,2TBDMS,isomer #9 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4811.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #1 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4915.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #10 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4992.1 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #2 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4962.6 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #3 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4918.4 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #4 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4894.8 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #5 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4898.3 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #6 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O[Si](C)(C)C(C)(C)C)=C2C1=O | 4922.3 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #7 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4976.1 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #8 | COC1=C(C2=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4984.2 | Semi standard non polar | 33892256 | Gomphrenol 3-methylether 4'-glucuronide,3TBDMS,isomer #9 | COC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C2)OC2=CC3=C(OCO3)C(O)=C2C1=O | 4925.1 | Semi standard non polar | 33892256 |
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