Mrv0541 02251202542D 66 66 0 0 1 0 999 V2000 2.6291 -1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2981 -0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 0.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7197 -0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4723 -0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5559 -1.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3085 -2.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3921 -2.9620 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 7.8137 -2.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 -3.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2353 -2.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9879 -3.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6569 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4095 -2.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0784 -2.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8310 -2.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4164 -1.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2526 -2.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9216 -2.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6742 -2.4310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7578 -3.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0888 -3.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1725 -4.5553 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.9932 -4.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3517 -4.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2561 -5.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5871 -5.8588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6707 -6.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4233 -7.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0018 -7.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0854 -7.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2492 -6.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5802 -7.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1655 -6.0037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4129 -5.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8345 -5.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7509 -4.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3432 -1.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0958 -2.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1794 -3.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7648 -1.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5174 -2.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1863 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9390 -1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0226 -2.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3536 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4372 -4.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7682 -4.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8519 -5.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6045 -5.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6881 -6.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4407 -6.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1097 -6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8623 -6.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5312 -6.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4476 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1166 -4.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0330 -4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7020 -3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4268 -2.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4099 -5.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8062 -5.2611 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 22 23 1 0 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 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 31 40 1 0 0 0 0 40 41 1 0 0 0 0 24 42 1 1 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 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 51 50 1 4 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 54 53 1 4 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 57 56 1 4 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 60 59 1 4 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 24 64 1 6 0 0 0 31 65 1 6 0 0 0 38 66 1 6 0 0 0 M END > FDB027064 > foodb > [H][C@@](COC(=O)CCCCCCCCCC=CCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C(O)C(O)C(O)[C@@]([H])(O)C1O)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC > 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/h6,8,12,14,17-20,24,26,41,44-49,52-56H,3-5,7,9-11,13,15-16,21-23,25,27-40H2,1-2H3,(H,57,58)/t41-,44?,45-,46?,47?,48?,49-/m1/s1 > QUFNTZNEDJYRSX-VEAHQXLZSA-N > C49H85O13P > 913.1652 > 912.572779318 > 9 > 106.67871532341708 > 0 > 6 > 0 > 0 > [(2R)-3-(icos-11-enoyloxy)-2-(icosa-8,11,14,17-tetraenoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.53 > 10.740996926666668 > -6.45 > 0 > 1 > -1 > 12.360530531715522 > 1.83325524620329 > -3.6458130204247565 > 209.51 > 252.95880000000005 > 41 > 0 > 3.23e-04 g/l > (2R)-3-(icos-11-enoyloxy)-2-(icosa-8,11,14,17-tetraenoyloxy)propoxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid > 0 > FDB027064 > PI(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) $$$$