Mrv0541 02251200292D 66 66 0 0 1 0 999 V2000 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5749 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -5.3625 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3210 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4315 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2881 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 -6.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7204 -5.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 4 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 22 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 30 1 4 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 34 33 1 4 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 37 36 1 4 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 40 39 1 4 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 23 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 49 52 1 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 1 1 0 0 0 60 62 1 0 0 0 0 53 62 1 0 0 0 0 62 63 1 0 0 0 0 23 64 1 1 0 0 0 53 65 1 6 0 0 0 60 66 1 6 0 0 0 M END > FDB027088 > foodb > [H][C@@](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)(COP(O)(=O)O[C@@]1([H])C(O)C(O)C(O)[C@@]([H])(O)C1O)OC(=O)CCCCCCCCCC=CCCCCCCCC > 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/h11,13,17-20,23,25,29,31,41,44-49,52-56H,3-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3,(H,57,58)/t41-,44?,45-,46?,47?,48?,49-/m1/s1 > RTWKIHCPJYUXKC-VEAHQXLZSA-N > C49H85O13P > 913.1652 > 912.572779318 > 9 > 105.35720968951196 > 0 > 6 > 0 > 0 > [(2R)-2-(icos-11-enoyloxy)-3-(icosa-5,8,11,14-tetraenoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.57 > 10.740996926666668 > -6.47 > 0 > 1 > -1 > 12.360530531715522 > 1.833255246203132 > -3.6458130204247565 > 209.50999999999996 > 252.95880000000002 > 41 > 0 > 3.12e-04 g/l > (2R)-2-(icos-11-enoyloxy)-3-(icosa-5,8,11,14-tetraenoyloxy)propoxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid > 0 > FDB027088 > PI(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) $$$$