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Entry
CA00863                                                            
Classification
Carotenoid Name
Blumenol C cellobioside
IUPAC name (6R,9R)-9-Cellobiosyl-7,8-dihydro-9-apo-epsilon-3-one
Formula
C25H42O12
Molecular Weight 
534.586 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
2 including one ketone (2 in total)
Number of
conjugated multiple bonds 
2 including one ketone (2 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
-0.326
Hydrogen Bond donors
(Lipinski's definition)
7
Hydrogen Bond Acceptors
(Lipinski's definition)
12
LipinskiFailures
2
Complexity of molecule
0.304
Number of heavy atoms
37
TPSA
(Topological Polar Surface Area) 
195.600 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Arbuscular mycorrhizal (Ref.252) - Fungi: mycorrhizal fungus (Mucoromycota - Glomeraceae)
References
  • Ref.252: Thomas Fester, Bettina Hause, Diana Schmidt, Kristine Halfmann, Jürgen Schmidt, Victor Wray, Gerd Hause and Dieter Strack, Plant and Cell Physiology Volume 43, Issue 3 pp. 256-265. "Occurrence and Localization of Apocarotenoids in Arbuscular Mycorrhizal Plant Roots".
    • CAS
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    Links to other DB

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