Mrv0541 02241200412D 107106 0 0 1 0 999 V2000 29.4838 -9.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9020 -8.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4294 -7.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9564 -10.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8476 -6.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7289 -8.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0676 -8.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1635 -5.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2024 -5.8893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2411 -5.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1246 -5.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2798 -5.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3963 -6.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9832 -6.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3510 -5.4838 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 30.4794 -5.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3510 -4.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4447 -9.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4835 -10.4416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5223 -9.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4058 -10.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5610 -10.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6495 -11.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2364 -11.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6322 -9.9682 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.6322 -9.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2127 -11.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7889 -11.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5034 -11.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2179 -11.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9323 -11.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6468 -11.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3613 -11.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 -11.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7903 -11.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5047 -11.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2192 -11.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9337 -11.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6481 -11.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3627 -11.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0771 -11.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7916 -11.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5061 -11.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2206 -11.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9351 -11.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9351 -12.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 -10.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4149 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1294 -10.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8439 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5583 -10.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2729 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9874 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7018 -10.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4163 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1308 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8452 -10.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5597 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2742 -10.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9887 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7032 -10.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4176 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1321 -10.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8466 -10.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8466 -9.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9903 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7048 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4193 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8482 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5627 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2772 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9917 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7062 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4206 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1351 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8496 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5640 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2785 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9930 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7075 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4220 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1364 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8509 -5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5654 -5.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5654 -4.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1068 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8213 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5358 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2502 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9647 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6792 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3936 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1082 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8226 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5371 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2516 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9661 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6805 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3950 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1095 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8240 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5385 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2529 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9674 -6.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6819 -7.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6819 -7.9431 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 23 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 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 12 1 0 0 0 0 85 86 2 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 1 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 2 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 2 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 > BMDB0010267 > 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/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC > 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/h21,23-25,27-28,33-38,41-44,46,48,56,60,79-81,86H,5-20,22,26,29-32,39-40,45,47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,60-56-/t79-,80-,81-/m1/s1 > FEBZNPLAEKQHSG-HJRGSSMZSA-N > C85H146O17P2 > 1502.0061 > 1501.00352627 > 9 > 177.7075578149512 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid > 9.27 > 25.428724474666666 > -7.27 > 0 > 0 > -2 > 2.1918043582171283 > 1.5897376143221367 > -3.4105029523385797 > 236.94999999999996 > 436.47969999999975 > 80 > 0 > 8.15e-05 g/l > 3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxyphosphinic acid > 0 > BMDB0010267 > CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) $$$$