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Entry |
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Classification |
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Carotenoid Name
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Abscisic acid glucose ester;
(+)-Abscisic acid glucose ester;
β-D-Glucopyranosyl abscisiate;
Abscisyl β-D-glucopyranoside;
beta-D-Glucopyranosyl abscisiate;
Abscisyl beta-D-glucopyranoside
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IUPAC name |
(6S,9Z)-6-Hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid beta-D-glucopyranoside
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Formula |
C21H30O9
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Molecular Weight |
426.45 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 |
3 and 2 including one ketone and one carboxylic acid glucose ester (5 in total)
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Number of
conjugated multiple bonds |
3 and 2 including one ketone and one carboxylic acid glucose ester (5 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 |
-0.428
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Hydrogen Bond donors
(Lipinski's definition) |
5
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Hydrogen Bond Acceptors
(Lipinski's definition) |
9
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| LipinskiFailures |
0
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| Complexity of molecule |
0.300
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| Number of heavy atoms |
30
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TPSA
(Topological Polar Surface Area) |
153.750 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 |
21414-42-6
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Links to other DB |
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