Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-11 23:32:47 UTC |
---|
Update Date | 2022-03-07 02:55:41 UTC |
---|
HMDB ID | HMDB0038261 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | (+)-7-epi-Syringaresinol 4'-glucoside |
---|
Description | (+)-7-epi-Syringaresinol 4'-glucoside belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones (+)-7-epi-Syringaresinol 4'-glucoside has been detected, but not quantified in, several different foods, such as black tea, green tea, herbal tea, red tea, and teas (Camellia sinensis). This could make (+)-7-epi-syringaresinol 4'-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (+)-7-epi-Syringaresinol 4'-glucoside. |
---|
Structure | COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C28H36O13 |
---|
Average Molecular Weight | 580.5776 |
---|
Monoisotopic Molecular Weight | 580.215591238 |
---|
IUPAC Name | 2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
---|
Traditional Name | 2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 |
---|
InChI Identifier | InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3 |
---|
InChI Key | WEKCEGQSIIQPAQ-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lignans, neolignans and related compounds |
---|
Class | Lignan glycosides |
---|
Sub Class | Not Available |
---|
Direct Parent | Lignan glycosides |
---|
Alternative Parents | |
---|
Substituents | - Lignan glycoside
- Furanoid lignan
- Furofuran lignan skeleton
- Fatty acyl glycoside
- Fatty acyl glycoside of mono- or disaccharide
- Phenolic glycoside
- Hexose monosaccharide
- Alkyl glycoside
- Glycosyl compound
- O-glycosyl compound
- M-dimethoxybenzene
- Dimethoxybenzene
- Methoxyphenol
- Furofuran
- Methoxybenzene
- Phenoxy compound
- Anisole
- Phenol ether
- Alkyl aryl ether
- Phenol
- Fatty acyl
- Benzenoid
- Monocyclic benzene moiety
- Monosaccharide
- Oxane
- Tetrahydrofuran
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Dialkyl ether
- Ether
- Acetal
- Organooxygen compound
- Primary alcohol
- Hydrocarbon derivative
- Alcohol
- Organic oxygen compound
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
(+)-7-epi-Syringaresinol 4'-glucoside,1TMS,isomer #1 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O | 4719.9 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TMS,isomer #2 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4706.8 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TMS,isomer #3 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4665.7 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TMS,isomer #4 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4666.1 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TMS,isomer #5 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4672.0 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #1 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O | 4543.0 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #10 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4476.5 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #2 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O | 4499.3 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #3 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O | 4493.9 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #4 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C | 4501.9 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #5 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4519.2 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #6 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4495.6 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #7 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4522.0 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #8 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4463.5 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TMS,isomer #9 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4477.3 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #1 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O | 4419.8 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #10 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4365.8 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #2 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O | 4403.9 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #3 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C | 4426.1 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #4 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4375.4 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #5 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4398.2 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #6 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4381.2 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #7 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4391.2 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #8 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4448.7 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,3TMS,isomer #9 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4385.0 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,4TMS,isomer #1 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4346.0 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,4TMS,isomer #2 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4398.5 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,4TMS,isomer #3 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4340.0 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,4TMS,isomer #4 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4307.6 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,4TMS,isomer #5 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4360.1 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TBDMS,isomer #1 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O | 4971.2 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TBDMS,isomer #2 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4943.6 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TBDMS,isomer #3 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4953.6 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TBDMS,isomer #4 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4938.0 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,1TBDMS,isomer #5 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 4952.4 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #1 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O | 5051.2 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #10 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 5021.0 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #2 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5038.4 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #3 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5025.8 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #4 | COC1=CC(C2OCC3C(C4=CC(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5037.1 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #5 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 5055.8 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #6 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 5027.4 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #7 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 5059.7 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #8 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O)C(OC)=C4)OCC23)=CC(OC)=C1O | 4991.2 | Semi standard non polar | 33892256 | (+)-7-epi-Syringaresinol 4'-glucoside,2TBDMS,isomer #9 | COC1=CC(C2OCC3C(C4=CC(OC)=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)C(OC)=C4)OCC23)=CC(OC)=C1O | 5008.6 | Semi standard non polar | 33892256 |
|
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (Non-derivatized) - 70eV, Positive | splash10-08mi-8645290000-af3ca4ff33eb5a44f7cd | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (1 TMS) - 70eV, Positive | splash10-00dr-6417019000-4ba0c054ac294094878a | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS ("(+)-7-epi-Syringaresinol 4'-glucoside,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside GC-MS (TMS_3_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 6V, Negative-QTOF | splash10-014i-0210900000-4de6a877f276d9a04db0 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 10V, Positive-QTOF | splash10-0159-0100960000-f72e2be095aa1bb324c6 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 20V, Positive-QTOF | splash10-014i-0134910000-67c474cb8499e44f9fc9 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 40V, Positive-QTOF | splash10-014i-1910000000-8af3b4c9d97ca9bb83e2 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 10V, Negative-QTOF | splash10-00or-1300590000-f7a676f0ae2be88cfd36 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 20V, Negative-QTOF | splash10-0i00-1315930000-fb5c356d15ee547c0243 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 40V, Negative-QTOF | splash10-000i-7839700000-d922dfc5e0c9eab34142 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 10V, Negative-QTOF | splash10-004i-0000190000-39ae9aa9168c3ab60495 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 20V, Negative-QTOF | splash10-0bvj-2100490000-8c717f937ae90acc9c6f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 40V, Negative-QTOF | splash10-0fc0-1129860000-bc9357d192a16a2744b9 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 10V, Positive-QTOF | splash10-0159-0220590000-caa124c9ee1ec5e95c7f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 20V, Positive-QTOF | splash10-014i-0361940000-519695f5c4c9110dd0b8 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-7-epi-Syringaresinol 4'-glucoside 40V, Positive-QTOF | splash10-0aos-6320960000-cfbe36c2692d1a2fec69 | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum |
|
---|