131770611 CDK 0910211424 53 52 0 0 0 0 0 0 0 0999 V2000 18.0832 4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5136 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2281 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9426 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2281 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 3.7126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2253 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47 1 1 6 0 0 0 1 49 1 0 0 0 0 2 48 1 0 0 0 0 2 50 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 4 48 2 0 0 0 0 5 49 2 0 0 0 0 6 52 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 37 1 0 0 0 0 28 36 1 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 33 38 1 0 0 0 0 34 43 1 0 0 0 0 35 41 1 0 0 0 0 36 46 1 0 0 0 0 37 48 1 0 0 0 0 38 42 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 43 49 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 47 50 1 0 0 0 0 47 51 1 0 0 0 0 M END > CHEBI:178945 > TG(20:0/i-12:0/12:0) > 2 > [(2R)-3-dodecanoyloxy-2-(10-methylundecanoyloxy)propyl] icosanoate > C47H90O6 > 751.231 > 750.67374 > 0 > O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)C(=O)CCCCCCCCC(C)C > InChI=1S/C47H90O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-31-35-39-46(49)52-42-44(53-47(50)40-36-32-28-27-29-33-37-43(3)4)41-51-45(48)38-34-30-25-23-14-12-10-8-6-2/h43-44H,5-42H2,1-4H3/t44-/m1/s1 > LBXRPDKDSYDNQI-USYZEHPZSA-N $$$$