Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-24 05:50:37 UTC |
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Update Date | 2021-09-24 05:50:37 UTC |
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HMDB ID | HMDB0303941 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | (+)-lariciresinol |
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Description | (+)-Lariciresinol belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at positons 2, 3 and 4, respectively. (+)-Lariciresinol has been detected in several different foods, such as parsnips, white mustards, narrowleaf cattails, turnips, and common sages. This could make (+)-Lariciresinol a potential biomarker for the consumption of these foods. Lariciresinol is also found in sesame seeds, Brassica vegetables, in the bark and wood of white fir (Abies alba). |
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Structure | COC1=C(O)C=CC(C[C@H]2CO[C@@H]([C@H]2CO)C2=CC(OC)=C(O)C=C2)=C1 InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1 |
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Synonyms | Value | Source |
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Lariciresinol | ChEBI | Larici-resinol | MeSH | tetrahydro-2-(4-Hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-3-furanmethanol | MeSH | (+)-Lariciresinol | PhytoBank |
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Chemical Formula | C20H24O6 |
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Average Molecular Weight | 360.401 |
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Monoisotopic Molecular Weight | 360.1572885 |
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IUPAC Name | 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol |
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Traditional Name | lariciresinol |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O)C=CC(C[C@H]2CO[C@@H]([C@H]2CO)C2=CC(OC)=C(O)C=C2)=C1 |
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InChI Identifier | InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1 |
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InChI Key | MHXCIKYXNYCMHY-AUSJPIAWSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively. |
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Kingdom | Organic compounds |
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Super Class | Lignans, neolignans and related compounds |
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Class | Furanoid lignans |
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Sub Class | Tetrahydrofuran lignans |
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Direct Parent | 7,9'-epoxylignans |
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Alternative Parents | |
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Substituents | - 7,9p-epoxylignan
- Methoxyphenol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Tetrahydrofuran
- Oxacycle
- Dialkyl ether
- Ether
- Organoheterocyclic compound
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Primary alcohol
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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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 | Not Available |
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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 IndicesNot Available |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - (+)-lariciresinol GC-MS (1 TMS) - 70eV, Positive | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-lariciresinol GC-MS (1 TMS) - 70eV, Positive | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-lariciresinol GC-MS (1 TMS) - 70eV, Positive | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-lariciresinol GC-MS (2 TMS) - 70eV, Positive | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-lariciresinol GC-MS (2 TMS) - 70eV, Positive | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-lariciresinol GC-MS (2 TMS) - 70eV, Positive | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-lariciresinol GC-MS (3 TMS) - 70eV, Positive | Not Available | 2020-06-30 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 10V, Positive-QTOF | splash10-03dl-0119000000-1b51be74b31ac9d7b539 | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 20V, Positive-QTOF | splash10-03du-0779000000-e7be7d105b100a9c3b9c | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 40V, Positive-QTOF | splash10-01p9-1910000000-b979ee1e05cf5260eb79 | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 10V, Negative-QTOF | splash10-0a4i-0009000000-7a840402d6d204c9b8c7 | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 20V, Negative-QTOF | splash10-0bvl-0019000000-ef7220328296c1790e21 | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 40V, Negative-QTOF | splash10-0ikl-1926000000-30d6a96496d1ab30c241 | 2017-06-28 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 10V, Positive-QTOF | splash10-03di-0039000000-bb1d565a494ee8df519a | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 20V, Positive-QTOF | splash10-052r-0967000000-392787799b00541a0644 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 40V, Positive-QTOF | splash10-002r-1924000000-af0c5df11ebeae93db35 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 10V, Negative-QTOF | splash10-0a4i-0009000000-2acd137877feef0611c1 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 20V, Negative-QTOF | splash10-0bvl-0009000000-d37a341dfd5a59b2d9ba | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-lariciresinol 40V, Negative-QTOF | splash10-0a4i-0269000000-23623d625c8571548180 | 2021-10-21 | Wishart Lab | View Spectrum |
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