mirtillin
flavylium, 3-(beta-D-glucopyranosyloxy)-3',4',5,5',7-pentahydroxy-, chloride (8CI)
 
Notes:
Isol. from grapes and many other plant spp. Present in red wine
  • BOC Sciences
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      Product(s):
      6906-38-3 Delphinidin 3-D-Glucoside
       
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CAS Number: 6906-38-3Picture of molecule3D/inchi
FDA UNII: 474A9U89JS
MDL: MFCD01762899
Molecular Weight: 500.84077000
Formula: C21 H21 Cl O12
NMR Predictor: Predict (works with chrome or firefox)
Category: pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Flash Point: 32.00 °F. TCC ( 0.00 °C. ) (est)
Soluble in:
 water, 660.1 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Alfa Biotechnology
For experimental / research use only.
delphinidin-3-glucoside 98%
BOC Sciences
For experimental / research use only.
Delphinidin 3-D-Glucoside
ExtraSynthese
For experimental / research use only.
Myrtillin chloride (HPLC) ≥95%
Santa Cruz Biotechnology
For experimental / research use only.
Delphinidin 3-β-D-Glucoside ≥95%
Sigma-Aldrich
For experimental / research use only.
Delphinidin 3-O-β-D-glucoside chloride
analytical standard
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-rat LD50  1850 mg/kg
United States Patent Document. Vol. #4229439

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: pharmaceuticals / chemical synthisis
Recommendation for mirtillin usage levels up to:
 not for fragrance use.
 
Recommendation for mirtillin flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 165558
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
Chemidplus: 0006906383
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References:
 (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 165558
Pubchem (sid): 135120543
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
KEGG (GenomeNet): C12138
HMDB (The Human Metabolome Database): HMDB37997
FooDB: FDB017191
YMDB (Yeast Metabolome Database): YMDB01665
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 bean adzuki bean seed
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 bean black bean seed
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 bean field bean
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 bean mung bean seed
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 bean scarlet runner bean
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 bilberry fruit
Search Trop  Picture
 bilberry leaf
Search Trop  Picture
 blueberry fruit
Search Trop  Picture
 currant black currant
Search Trop  Picture
 currant black currant fruit
Search Trop  Picture
 currant red currant fruit
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 flax flower
Search Trop  Picture
 grape fruit
Search Trop  Picture
 grape pericarp
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 mango
Search Trop  Picture
 orange fruit
Search Trop  Picture
 pea flower
Search Trop  Picture
 pomegranate
Search Trop  Picture
 pomegranate fruit
Search Trop  Picture
 pomegranate fruit juice
Search Trop  Picture
 roselle calyx
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 soybean
Search Trop  Picture
 soybean seed
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 vaccinium spp.
Search Trop  Picture
 wine red wine
Search  Picture
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Synonyms:
1-benzopyrylium, 5,7-dihydroxy-3-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-, chloride
 delphinidin 3-glucoside
 delphinidin 3-monoglucoside
 delphinidin-3-glucoside chloride
 delphinidin-3-O-glucoside
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
 flavylium, 3-(beta-D-glucopyranosyloxy)-3',4',5,5',7-pentahydroxy-, chloride (8CI)
 myrtillin (6CI)
 myrtillin chloride
 myrtillin-a
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Articles:
PubMed: Hemisynthesis and structural and chromatic characterization of delphinidin 3-O-glucoside-vescalagin hybrid pigments.
PubMed: Thermodynamic and kinetic properties of a new myrtillin-vescalagin hybrid pigment.
PubMed: Circular dichroism of anthocyanidin 3-glucoside self-aggregates.
PubMed: The effect of self-aggregation on the determination of the kinetic and thermodynamic constants of the network of chemical reactions in 3-glucoside anthocyanins.
PubMed: Interaction between gliadins and anthocyan derivatives.
PubMed: Effect of Vaccinium myrtillus and its polyphenols on angiotensin-converting enzyme activity in human endothelial cells.
PubMed: Ultrasound extracted flavonoids from four varieties of Portuguese red grape skins determined by reverse-phase high-performance liquid chromatography with electrochemical detection.
PubMed: [Clinical study of the action of myrtillin alone or associated with betacarotene on normal subjects and on patients with degenerative changes of the fundus oculi].
PubMed: [Perimetric and adaptometric modifications after ingestion of myrtillin associated with betacarotene].
PubMed: [Myrtillin in differentiation of deoxy- and ribonucleic acids; preliminary communication].
PubMed: ASSOCIATION OF AMERICAN PHYSICIANS: SENSIBILITY TO PAIN OF THE PERICARDIUM; STUDIES IN EXPERIMENTAL THROMBOSIS; MYRTILLIN A DIABETES REMEDY; REACTION OF CHRONIC NEPHROSIS TO THYROID AND PARATHYROID MEDICATION.
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