Mrv0541 02241200372D 103102 0 0 1 0 999 V2000 27.0508 -11.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4689 -10.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9964 -9.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5234 -12.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4145 -8.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2958 -10.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6345 -10.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7304 -7.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7692 -7.7491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8080 -7.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6915 -7.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8468 -7.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9632 -8.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5500 -8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9178 -7.3435 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.0464 -7.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9178 -6.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0116 -11.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0504 -12.3013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0892 -11.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9727 -12.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1279 -12.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2164 -13.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8033 -13.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1991 -11.8279 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.1991 -11.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7796 -12.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9862 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 -7.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4151 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1296 -7.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8441 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5586 -7.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2731 -7.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9875 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 -7.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4165 -7.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1309 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8454 -7.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5599 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2744 -7.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9889 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7033 -7.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4178 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1323 -7.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1323 -6.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 -12.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9819 -11.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6963 -12.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4108 -11.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1253 -12.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8398 -11.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5543 -11.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2687 -12.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 -11.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6977 -11.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4121 -12.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1266 -11.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8411 -12.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5556 -11.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2701 -12.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9845 -11.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6990 -12.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4134 -11.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4134 -11.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1026 -8.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8171 -8.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5316 -8.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2460 -8.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9605 -8.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6750 -8.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3895 -8.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1040 -8.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8184 -8.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5329 -8.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2474 -8.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9618 -8.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6764 -8.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3908 -8.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1053 -8.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8198 -8.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5342 -8.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2487 -8.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2487 -9.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3558 -13.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0703 -13.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7848 -13.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4992 -13.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2137 -13.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 -13.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6427 -13.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3572 -13.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0716 -13.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7861 -13.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5006 -13.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2151 -13.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9296 -13.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6441 -13.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3585 -13.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0730 -13.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7875 -13.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5019 -13.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5019 -14.3831 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 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 2 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 2 0 0 0 0 12 45 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 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 2 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 2 0 0 0 0 57 56 1 0 0 0 0 58 57 1 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 2 0 0 0 0 22 64 1 0 0 0 0 67 66 1 0 0 0 0 68 67 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 2 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 2 0 0 0 0 76 75 1 0 0 0 0 77 76 1 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 2 0 0 0 0 13 83 1 0 0 0 0 86 85 1 0 0 0 0 87 86 1 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 1 0 0 0 0 91 90 2 0 0 0 0 92 91 1 0 0 0 0 93 92 1 0 0 0 0 94 93 2 0 0 0 0 95 94 1 0 0 0 0 96 95 1 0 0 0 0 97 96 2 0 0 0 0 98 97 1 0 0 0 0 99 98 1 0 0 0 0 100 99 1 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 103102 2 0 0 0 0 23102 1 0 0 0 0 M END > BMDB0010248 > 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)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,47,51,75-77,82H,5-20,29-32,41-46,48-50,52-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,51-47-/t75-,76-,77-/m1/s1 > ZZLLIBZWGNZOCJ-RPHRJLABSA-N > C81H140O17P2 > 1447.9156 > 1446.956576078 > 9 > 169.72978921727298 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.17 > 24.01237147133334 > -7.25 > 0 > 0 > -2 > 2.191804358217229 > 1.5897376143223694 > -3.4105029523385797 > 236.94999999999996 > 416.9590999999998 > 77 > 0 > 8.18e-05 g/l > 3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0010248 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) $$$$