Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:12:05 UTC |
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Update date | 2019-11-26 03:12:19 UTC |
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Primary ID | FDB015842 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 7',8'-Dihydro-8'-hydroxycitraniaxanthin |
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Description | 7',8'-Dihydro-8'-hydroxycitraniaxanthin belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a small amount of articles have been published on 7',8'-Dihydro-8'-hydroxycitraniaxanthin. |
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CAS Number | 15446-86-3 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C33H44O3 |
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IUPAC name | 1-{3-hydroxy-3-[(2E,4E,6Z,8E,10E,12E,14Z,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]oxiran-2-yl}ethan-1-one |
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InChI Identifier | InChI=1S/C33H44O3/c1-24(16-11-17-26(3)21-22-30-27(4)19-13-23-32(30,7)8)14-9-10-15-25(2)18-12-20-28(5)33(35)31(36-33)29(6)34/h9-12,14-18,20-22,31,35H,13,19,23H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,24-14+,25-15-,26-17-,28-20+ |
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InChI Key | YDOUJCMZGQTKDH-WDNAESAISA-N |
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Isomeric SMILES | CC(=O)C1OC1(O)C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C |
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Average Molecular Weight | 488.7007 |
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Monoisotopic Molecular Weight | 488.329045274 |
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Classification |
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Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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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 | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Oxirane
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | 7',8'-Dihydro-8'-hydroxycitraniaxanthin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-007c-8008900000-2b1669de4be1c6a53a14 | Spectrum | Predicted GC-MS | 7',8'-Dihydro-8'-hydroxycitraniaxanthin, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000i-9004030000-556e0b84468052aae706 | Spectrum | Predicted GC-MS | 7',8'-Dihydro-8'-hydroxycitraniaxanthin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0079-0325900000-fd833f0512ba3ce0bfba | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052r-0339100000-63a07b94997b71402c0c | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-3759100000-205e109ef2dbff7f0a57 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-052r-5001900000-a93e13fab14701f4152c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0ap0-6001900000-df0a5dcb53006f2ad5b7 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0abi-9105200000-acff00e857728dc4ed38 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00or-0000900000-cd6545767dfe867bfddc | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0173-4001900000-5051ed9a4ca0f683c722 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-5009500000-d7e8ad7a28231e17f334 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0106900000-b6f583012790f2559bd0 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-1337900000-688e5f12bef5f5768aa2 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0537-5926000000-eb5c8b704bcc02899c57 | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB36884 |
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CRC / DFC (Dictionary of Food Compounds) ID | KJX39-R:KJX40-L |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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