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Entry
CA00531                                                            
Classification
Carotenoid Name
Braunixanthins
IUPAC name Complex ether dericative of 3-hydroxy-beta,beta-caroten-4-one
Formula
C113H182O8
Molecular Weight 
1668.586 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 and 3 including one ketone (15 in total)
Number of
conjugated multiple bonds 
12 and 3 including one ketone (15 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
38.668
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
8
LipinskiFailures
2
Complexity of molecule
0.221
Number of heavy atoms
121
TPSA
(Topological Polar Surface Area) 
103.680 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Botryococcus braunii B race  - Green alga: Trebouxiophyceae (Chlorophyta - Botryococcaceae)
References

CAS
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Links to other DB

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