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Entry |
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Classification |
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Carotenoid Name
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Crocetin glucosyl methyl diester
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IUPAC name |
8-Glucosyl-8'-methyl 8,8'-diapocarotene-8,8'-dioate
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Formula |
C27H36O9
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Molecular Weight |
504.558 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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Biological functions/Properties |
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Number of
conjugated double bonds |
9 including carboxylic acid methyl ester and carboxylic acid glucoside ester (9 in total)
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Number of
conjugated multiple bonds |
9 including two carboxylic acid glucosyl esters (9 in total)
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
3.487
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Hydrogen Bond donors
(Lipinski's definition) |
4
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Hydrogen Bond Acceptors
(Lipinski's definition) |
9
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| LipinskiFailures |
1
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| Complexity of molecule |
0.083
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| Number of heavy atoms |
36
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TPSA
(Topological Polar Surface Area) |
142.750 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
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References |
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CAS |
-
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Links to other DB |
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