Mrv1572004261615292D 80 80 0 0 1 0 999 V2000 -11.3463 2.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7733 4.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0185 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9538 4.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1989 1.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6259 3.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8711 1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8064 3.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0515 1.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4786 2.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7237 0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 2.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9042 0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3312 1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5763 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7568 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1838 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 -1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6094 -1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 -2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 -1.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1342 -3.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 -2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 -2.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8229 -2.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4553 -2.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 -3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -3.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 -3.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6192 -5.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -5.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4388 -5.1580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5282 -4.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 -3.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -6.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2363 -7.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3846 -5.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 -7.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 -6.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1832 -7.1707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0199 -4.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 -3.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 -5.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9934 -7.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -5.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6685 -8.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -6.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 -8.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3597 -7.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2914 -4.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -6.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 -4.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 -7.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 -7.3346 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 3.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8229 1.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2651 0.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 0.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9207 -2.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4951 0.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -1.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1838 -2.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0364 -3.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -2.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -5.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 -6.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -7.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3724 -5.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 -6.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 -6.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 -7.9902 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 1 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 1 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 18 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 2 0 0 0 0 27 25 1 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 2 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 41 39 1 0 0 0 0 41 40 1 0 0 0 0 42 37 1 0 0 0 0 43 38 1 0 0 0 0 45 44 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 49 48 1 0 0 0 0 50 42 2 0 0 0 0 51 43 2 0 0 0 0 52 44 1 0 0 0 0 45 53 1 6 0 0 0 54 46 1 0 0 0 0 55 47 1 0 0 0 0 56 48 1 0 0 0 0 59 39 1 0 0 0 0 59 42 1 0 0 0 0 60 40 1 0 0 0 0 41 61 1 1 0 0 0 61 43 1 0 0 0 0 49 62 1 6 0 0 0 63 57 1 0 0 0 0 63 58 2 0 0 0 0 63 60 1 0 0 0 0 63 62 1 0 0 0 0 64 12 1 0 0 0 0 65 14 1 0 0 0 0 66 17 1 0 0 0 0 67 18 1 0 0 0 0 68 19 1 0 0 0 0 20 69 1 4 0 0 0 70 24 1 0 0 0 0 71 26 1 0 0 0 0 72 30 1 0 0 0 0 73 32 1 0 0 0 0 41 74 1 6 0 0 0 75 44 1 0 0 0 0 45 76 1 1 0 0 0 77 46 1 0 0 0 0 78 47 1 0 0 0 0 79 48 1 0 0 0 0 49 80 1 1 0 0 0 M END > CHEM039191 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)C1([H])O)OC(=O)CCCC([H])=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(/[H])CCCCC > InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,41,44-49,52-56H,3-11,13,15-16,21-23,25,27-29,31,33-40H2,1-2H3,(H,57,58)/b14-12+,19-17+,20-18?,26-24-,32-30-/t41-,44?,45-,46?,47?,48?,49-/m1/s1 > OMVPUSOICJMUBL-LAKAZBKISA-N > C49H85O13P > 913.18 > 912.572779795 > 9 > 148 > 105.96546895881298 > 0 > 6 > 0 > 0 > [(2R)-3-[(11E)-icos-11-enoyloxy]-2-[(5Z,8Z,14E)-icosa-5,8,11,14-tetraenoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.58 > 10.740996926666668 > -6.47 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462030662 > -3.6458130204247565 > 209.50999999999996 > 252.95880000000008 > 41 > 0 > 3.10e-04 g/l > (2R)-3-[(11E)-icos-11-enoyloxy]-2-[(5Z,8Z,14E)-icosa-5,8,11,14-tetraenoyloxy]propoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > PI(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) $$$$