Mrv0541 02241200432D 107106 0 0 1 0 999 V2000 26.9668 -9.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3850 -8.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9124 -7.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4394 -9.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3306 -6.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2119 -7.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5506 -7.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6465 -4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6853 -5.4279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7241 -4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6076 -5.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7628 -5.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8793 -6.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4662 -6.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8340 -5.0223 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.9625 -5.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8340 -3.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9276 -9.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9665 -9.9801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0052 -9.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8888 -9.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0440 -9.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1325 -10.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7193 -10.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1152 -9.5068 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.1152 -8.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6956 -10.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4733 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1878 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9023 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0457 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7601 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4747 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1891 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9036 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6181 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3325 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0470 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7615 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4760 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1905 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9050 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6194 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3339 -5.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0484 -5.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0484 -4.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2719 -10.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9864 -11.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7008 -10.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4153 -11.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1298 -10.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8443 -11.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5588 -11.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2733 -10.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9877 -11.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7022 -11.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4167 -10.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1311 -11.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8457 -10.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5601 -11.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2746 -10.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9891 -11.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7035 -10.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4180 -11.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4180 -12.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 -9.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8979 -9.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6124 -9.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3269 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0413 -9.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7559 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 -9.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1848 -9.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8993 -9.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6137 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3282 -9.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0427 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7572 -9.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4717 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1861 -9.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9006 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6151 -9.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3296 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3296 -8.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5898 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3043 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0188 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7332 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4477 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1622 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8766 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5912 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3056 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0201 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7346 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4490 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1635 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8780 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5925 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3070 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0214 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7359 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4504 -6.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1648 -6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1648 -7.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 2 7 1 6 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 9 13 1 6 0 0 0 9 14 1 1 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 5 1 0 0 0 0 15 11 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 19 23 1 6 0 0 0 19 24 1 1 0 0 0 25 4 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 21 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 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 46 47 1 0 0 0 0 47 12 1 0 0 0 0 47 48 2 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 2 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 2 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 67 66 2 0 0 0 0 23 66 1 0 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 2 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 2 0 0 0 0 78 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 0 0 0 0 82 81 1 0 0 0 0 83 82 1 0 0 0 0 84 83 1 0 0 0 0 85 84 1 0 0 0 0 86 85 2 0 0 0 0 22 85 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 2 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 2 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106 13 1 0 0 0 0 106107 2 0 0 0 0 M END > BMDB0010280 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,41-43,46,79-81,86H,5-8,10-12,14-20,29-32,39-40,44-45,47-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-/t79-,80-,81-/m1/s1 > NVEKMRZQYBIFMN-AJKZSLTDSA-N > C85H146O17P2 > 1502.0061 > 1501.00352627 > 9 > 176.25446708341798 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid > 9.21 > 25.428724474666666 > -7.29 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 436.4796999999998 > 80 > 0 > 7.72e-05 g/l > 3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxyphosphinic acid > 0 > BMDB0010280 > CL(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) $$$$