Ketcher 05241714232D 1 1.00000 0.00000 0 61 60 0 1 0 999 V2000 22.9475 -12.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0821 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2172 -12.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8124 -12.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3519 -12.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0821 -13.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6777 -12.1638 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.1772 -13.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1783 -11.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5428 -11.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4079 -12.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2731 -11.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1382 -12.1638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6386 -13.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9389 -11.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0034 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4509 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3274 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0805 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9569 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8335 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4632 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3397 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2163 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0928 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9694 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8458 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7224 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5989 -12.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4754 -12.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4754 -11.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 -14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5514 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4279 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 -14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0576 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9341 -14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6872 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5637 -14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4403 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3168 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1934 -14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0699 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9465 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8230 -14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6995 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5760 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4526 -14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3291 -13.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2058 -14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2058 -15.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1949 -13.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 1 4 1 0 0 0 3 5 1 0 0 0 2 6 1 6 0 0 4 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 7 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 5 1 0 0 0 36 37 2 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 2 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 2 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 2 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 6 1 0 0 0 59 60 2 0 0 0 2 61 1 1 0 0 M CHG 2 8 -1 13 1 M END > CHEBI:137121 > PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) > 2 > C50H82NO8P > 856.164 > 855.57781 > 0 > C([C@@](COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,15,17-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1 > NBMCSOJQWVAWGA-TWAKRUQDSA-N $$$$