Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-11 21:33:36 UTC |
---|
Update Date | 2022-03-07 02:54:55 UTC |
---|
HMDB ID | HMDB0036422 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | Fauronyl acetate |
---|
Description | Fauronyl acetate belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review a small amount of articles have been published on Fauronyl acetate. |
---|
Structure | CC(C)C1CC2(C)C(=O)CCCC2(C)CC1OC(C)=O InChI=1S/C17H28O3/c1-11(2)13-9-17(5)15(19)7-6-8-16(17,4)10-14(13)20-12(3)18/h11,13-14H,6-10H2,1-5H3 |
---|
Synonyms | Value | Source |
---|
Fauronyl acetic acid | Generator | 4a,8a-Dimethyl-5-oxo-3-(propan-2-yl)-decahydronaphthalen-2-yl acetic acid | HMDB |
|
---|
Chemical Formula | C17H28O3 |
---|
Average Molecular Weight | 280.4024 |
---|
Monoisotopic Molecular Weight | 280.203844762 |
---|
IUPAC Name | 4a,8a-dimethyl-5-oxo-3-(propan-2-yl)-decahydronaphthalen-2-yl acetate |
---|
Traditional Name | 3-isopropyl-4a,8a-dimethyl-5-oxo-hexahydro-1H-naphthalen-2-yl acetate |
---|
CAS Registry Number | 2658-82-4 |
---|
SMILES | CC(C)C1CC2(C)C(=O)CCCC2(C)CC1OC(C)=O |
---|
InChI Identifier | InChI=1S/C17H28O3/c1-11(2)13-9-17(5)15(19)7-6-8-16(17,4)10-14(13)20-12(3)18/h11,13-14H,6-10H2,1-5H3 |
---|
InChI Key | WAXPQZRMCKBKEV-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Sesquiterpenoids |
---|
Direct Parent | Sesquiterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Valerane sequiterpene
- Sesquiterpenoid
- Ketone
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | |
---|
Role | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | |
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized |
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - Fauronyl acetate GC-MS (Non-derivatized) - 70eV, Positive | splash10-000f-4390000000-de0c6a114bfb0750d470 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Fauronyl acetate 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 |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 10V, Positive-QTOF | splash10-001i-0090000000-12ab60b4e247cb048d04 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 20V, Positive-QTOF | splash10-0079-3290000000-6f4f445a1d253e813808 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 40V, Positive-QTOF | splash10-015d-9440000000-f05c0aa6539501ea76c5 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 10V, Negative-QTOF | splash10-004r-0090000000-118bb3613ab3373d29f5 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 20V, Negative-QTOF | splash10-002r-2090000000-41cf6f3d7387a848093d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 40V, Negative-QTOF | splash10-05g3-6590000000-bcecc43337441280923a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 10V, Negative-QTOF | splash10-004i-2090000000-13f9cd557db12eb13503 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 20V, Negative-QTOF | splash10-014i-1090000000-71da0af23271a69ec0f9 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 40V, Negative-QTOF | splash10-059f-9080000000-3b50ac0661c10a393b5a | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 10V, Positive-QTOF | splash10-0fb9-0690000000-6fe0475db0e9fc504bfc | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 20V, Positive-QTOF | splash10-0uk9-1970000000-117f836b55147e70c659 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fauronyl acetate 40V, Positive-QTOF | splash10-0005-9300000000-d0f8942bf6cbd88c44dc | 2021-09-23 | Wishart Lab | View Spectrum |
|
---|
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.
|
---|