Mrv1572004261614382D 70 69 0 0 1 0 999 V2000 20.1521 -2.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 -4.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9092 -2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 -3.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0038 -1.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 -3.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7609 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 -2.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8555 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -2.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1931 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2877 1.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6038 -1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6253 1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6985 -0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8682 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4556 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2058 1.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4487 1.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3541 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5970 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5024 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7453 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0828 -0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3258 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 -0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6633 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9063 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2438 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8087 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4868 -0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5658 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 -2.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8488 -2.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5531 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6477 -0.0588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8243 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2282 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9961 -3.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9190 0.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8818 -1.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6068 -2.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0672 -0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5209 -2.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 -1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9853 0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7014 -2.0258 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.3414 -0.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4233 -1.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4360 -0.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0448 1.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2663 -1.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7736 0.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5502 0.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3004 2.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0165 0.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9346 0.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 -1.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6507 -1.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1775 0.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3102 -0.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 18 2 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 40 39 1 0 0 0 0 43 41 1 0 0 0 0 43 42 1 0 0 0 0 44 37 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 44 2 0 0 0 0 48 45 2 0 0 0 0 51 41 1 0 0 0 0 51 44 1 0 0 0 0 52 40 1 0 0 0 0 53 42 1 0 0 0 0 43 54 1 1 0 0 0 54 45 1 0 0 0 0 55 49 1 0 0 0 0 55 50 2 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 5 1 0 0 0 0 57 7 1 0 0 0 0 58 11 1 0 0 0 0 59 12 1 0 0 0 0 60 13 1 0 0 0 0 61 14 1 0 0 0 0 62 17 1 0 0 0 0 63 18 1 0 0 0 0 64 19 1 0 0 0 0 65 21 1 0 0 0 0 66 22 1 0 0 0 0 67 23 1 0 0 0 0 68 25 1 0 0 0 0 69 27 1 0 0 0 0 43 70 1 1 0 0 0 M END > CHEM038972 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,43H,3-4,6,8-10,15-16,20,24,26,28-42,46H2,1-2H3,(H,49,50)/b7-5+,13-11+,14-12+,19-17+,22-21+,23-18+,27-25+/t43-/m1/s1 > DSDFNBMJLLQOEQ-OQYGYHHASA-N > C45H76NO8P > 790.076 > 789.530855409 > 5 > 131 > 92.15151176143323 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 8.58 > 11.474013082470092 > -7.03 > 0 > 0 > 0 > 1.8688003136581997 > 9.999929336362278 > 134.38000000000002 > 235.62810000000007 > 40 > 0 > 7.36e-05 g/l > 2-aminoethoxy((2R)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid > 0 > PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) $$$$