Marvin 03040600062D 44 45 0 0 0 0 999 V2000 -5.3581 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6436 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9292 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6436 1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3577 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7879 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7879 1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2168 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5024 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 1.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2168 1.0359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5024 2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9313 1.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9149 -0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5024 -0.2016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0899 -0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5015 -1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2160 -1.0266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7870 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0726 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2160 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5015 0.2109 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0726 -1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5015 -2.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9305 -1.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9140 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37 1 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 22 26 1 0 0 0 0 25 28 2 0 0 0 0 27 29 1 1 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 33 41 2 0 0 0 0 33 34 1 0 0 0 0 34 42 1 1 0 0 0 36 33 1 0 0 0 0 35 36 2 0 0 0 0 36 40 1 0 0 0 0 35 37 1 0 0 0 0 38 34 1 0 0 0 0 39 38 1 0 0 0 0 35 39 1 0 0 0 0 39 43 1 0 0 0 0 39 44 1 0 0 0 0 25 27 1 0 0 0 0 22 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 27 1 0 0 0 0 31 24 1 0 0 0 0 21 31 1 0 0 0 0 M END > CHEBI:40968 > astaxanthin > A carotenone that consists of β,β-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein. > 3 > CHEBI:2895; CHEBI:40963 > ovoester; E 161j; astaxanthine; Astaxanthin; ASTAXANTHIN; all-trans-(3S,3'S)-astaxanthin; all-trans-(3S,3'S)-astaxanthin; 3,3'-dihydroxy-beta-carotene-4,4'-dione; 3,3'-dihydroxy-beta,beta-carotene-4,4'-dione; (3S,3'S)-astaxanthin > (3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione > C40H52O4 > 596.83848 > 596.38656 > 0 > CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C > InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1 > MQZIGYBFDRPAKN-UWFIBFSHSA-N > 1917937 > 472-61-7 > 1917937 > 472-61-7 > C08580 > C00000918 > LMPR01070263 > AXT > Astaxanthin > 21833799; 21883294; 22119431; 22188802; 22189778; 22221991; 22267192; 22279065; 22309505; 22349894; 22406426; 22428137; 22432539; 22455145 $$$$