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neoxanthin; neoxantin


Name(s) neoxanthin; neoxantin
Scientific name(s) all-trans-neoxanthin
Formula C40H56O4
Molecular mass 600.87024
IUPAC name (1r,3s)-6-[(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1r,3s,6s)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol; (1r,3s)-6-[(1p,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol
INCHI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22-,33-,34-,38+,39+,40-/m0/s1
SMILE O[C@@H]1C[C@@]2(C)O[C@@]2(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C=[C@]=C2C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C1
CAS ID 30743-41-0; 14660-91-4
PubChem ID 5281247
DrugBank ID Not available
CHEBI ID Not available
Description Constituent of paprika, lucerne, Valencia orange and other subspecies_x000D_ _x000D_ A carotenoid. an intermediate in the synthesis of abscisic acid from violaxanthin. Neoxanthin is found in many foods, some of which are fruits, rice, yellow bell pepper, and kiwi.