Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:15:28 UTC |
---|
Update date | 2019-11-26 03:19:52 UTC |
---|
Primary ID | FDB021089 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | Hydrojuglone glucoside |
---|
Description | Hydrojuglone glucoside belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Hydrojuglone glucoside has been detected, but not quantified in, common walnuts (Juglans regia) and nuts. This could make hydrojuglone glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Hydrojuglone glucoside. |
---|
CAS Number | 22427-33-4 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C16H18O8 |
---|
IUPAC name | 2-[(5,8-dihydroxynaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
---|
InChI Identifier | InChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-22H,6H2 |
---|
InChI Key | PUKLOSMRXIAWPE-UHFFFAOYSA-N |
---|
Isomeric SMILES | OCC1OC(OC2=CC=CC3=C(O)C=CC(O)=C23)C(O)C(O)C1O |
---|
Average Molecular Weight | 338.3093 |
---|
Monoisotopic Molecular Weight | 338.100167552 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | Phenolic glycosides |
---|
Alternative Parents | |
---|
Substituents | - Phenolic glycoside
- Hexose monosaccharide
- 1-naphthol
- O-glycosyl compound
- Naphthalene
- Hydroquinone
- 1-hydroxy-2-unsubstituted benzenoid
- Monosaccharide
- Benzenoid
- Oxane
- Secondary alcohol
- Organoheterocyclic compound
- Acetal
- Oxacycle
- Polyol
- Alcohol
- Hydrocarbon derivative
- Primary alcohol
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Route of exposure: Source: Biological location: |
---|
Role | Biological role: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | Hydrojuglone glucoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0pk9-8945000000-729e8936965ba5dd9429 | Spectrum | Predicted GC-MS | Hydrojuglone glucoside, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-1222009000-c76a8fc8a8e2cf1fa18c | Spectrum | Predicted GC-MS | Hydrojuglone glucoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004r-0906000000-d4cbfbb6ad6fcee60e1a | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004j-0900000000-b782d1e5ae73ea3c8158 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-054k-1900000000-ad1f324860bd16b9ab88 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-002r-0709000000-eda60f5eb8b91820c2b1 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0901000000-abd30474d42fbf98231e | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004j-2900000000-7c6069a1894599422a93 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0901000000-8d8fc21b9b7979fb1323 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0973000000-3b8612e0cb57c85fe5c2 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0adj-9810000000-40f590def1cc4eda5e7c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0509000000-af35a16df14be3aff722 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-056r-1901000000-c548a7d09a34e136aef6 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052b-1900000000-e9b1fd2654cab39b7eb7 | 2021-09-25 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | Not Available |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | Not Available |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB41191 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | FRC24-J:NKV38-U |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | HYDROJUGLONEGLUCOSIDE|1,4,5-TRIOXY-NAPHTHALINE-5-BETA-D-GLUCOSIDE |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Not Available |
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
|
---|