Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 02:28:12 UTC |
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Update Date | 2022-03-07 02:56:46 UTC |
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HMDB ID | HMDB0040864 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | O-Geranylvanillin |
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Description | O-Geranylvanillin belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Based on a literature review a small amount of articles have been published on O-Geranylvanillin. |
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Structure | COC1=C(OC\C=C(/C)CCC=C(C)C)C=CC(C=O)=C1 InChI=1S/C18H24O3/c1-14(2)6-5-7-15(3)10-11-21-17-9-8-16(13-19)12-18(17)20-4/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+ |
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Synonyms | Value | Source |
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O-Geranylvanillin | MeSH |
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Chemical Formula | C18H24O3 |
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Average Molecular Weight | 288.3814 |
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Monoisotopic Molecular Weight | 288.172544634 |
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IUPAC Name | 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3-methoxybenzaldehyde |
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Traditional Name | 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3-methoxybenzaldehyde |
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CAS Registry Number | 151455-08-2 |
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SMILES | COC1=C(OC\C=C(/C)CCC=C(C)C)C=CC(C=O)=C1 |
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InChI Identifier | InChI=1S/C18H24O3/c1-14(2)6-5-7-15(3)10-11-21-17-9-8-16(13-19)12-18(17)20-4/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+ |
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InChI Key | SRLAFDUAEAXGBA-XNTDXEJSSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Monoterpenoids |
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Direct Parent | Aromatic monoterpenoids |
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Alternative Parents | |
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Substituents | - Aromatic monoterpenoid
- Monocyclic monoterpenoid
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- Benzaldehyde
- Benzoyl
- Aryl-aldehyde
- Alkyl aryl ether
- Benzenoid
- Monocyclic benzene moiety
- Ether
- Organooxygen compound
- Aldehyde
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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 | |
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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 | |
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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 IndicesUnderivatized |
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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 - O-Geranylvanillin GC-MS (Non-derivatized) - 70eV, Positive | splash10-01b9-6690000000-a3bcac3008ba283b15da | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - O-Geranylvanillin GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | 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 - O-Geranylvanillin 10V, Positive-QTOF | splash10-000i-0490000000-ad2c55f54561272bdf06 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 20V, Positive-QTOF | splash10-000i-7940000000-f7cdc1ae36b265d13818 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 40V, Positive-QTOF | splash10-0ldr-9300000000-48a882ac8ed9465d39f9 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 10V, Negative-QTOF | splash10-000i-0390000000-675afa7d46e0a9583314 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 20V, Negative-QTOF | splash10-0fe0-0940000000-a2255c9c5c090c223ab6 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 40V, Negative-QTOF | splash10-00kr-5900000000-47e05ee7a5774b0b0089 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 10V, Positive-QTOF | splash10-000i-1970000000-7e814b407be7229cc685 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 20V, Positive-QTOF | splash10-001i-9400000000-d46fde3dfd30ba5ae4d2 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 40V, Positive-QTOF | splash10-0ue9-9800000000-c4ea3a97d23abd5e136a | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 10V, Negative-QTOF | splash10-000i-0190000000-15ca491c3e17995c3691 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 20V, Negative-QTOF | splash10-00dr-0910000000-37f1b595f2513bca7046 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - O-Geranylvanillin 40V, Negative-QTOF | splash10-0fki-2900000000-ba4a86c3acc04d95d88c | 2021-09-24 | Wishart Lab | View Spectrum |
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General References | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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