Mrv0541 02241200362D 101100 0 0 1 0 999 V2000 26.5054 -9.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9235 -8.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4510 -7.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9780 -10.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8691 -6.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7505 -8.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0891 -8.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1850 -5.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2238 -6.0151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2626 -5.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1462 -6.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3014 -6.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4178 -6.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0047 -6.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3725 -5.6096 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.5010 -5.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3725 -4.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4662 -10.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5050 -10.5674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5438 -10.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4274 -10.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5826 -10.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6710 -11.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2579 -11.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6537 -10.0940 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.6537 -9.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2342 -11.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4408 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1553 -5.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8698 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5842 -5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2987 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0132 -5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7277 -5.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4422 -6.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1566 -5.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8711 -5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5856 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3000 -5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0146 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7290 -5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4435 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1580 -5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8724 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5869 -5.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5869 -4.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 -10.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4365 -10.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1509 -10.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8654 -10.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5799 -10.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2944 -10.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0089 -10.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7234 -10.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4378 -10.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1523 -10.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8668 -10.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5812 -10.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2958 -10.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0102 -10.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7247 -10.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4392 -10.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1536 -10.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8681 -10.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8681 -9.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5572 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2717 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9862 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7007 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4151 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1297 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8441 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5586 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2731 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9875 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7020 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4165 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1310 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8455 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5599 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2744 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9889 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7033 -7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7033 -8.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2395 -11.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9540 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6685 -11.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3829 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0974 -11.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8119 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5263 -11.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2408 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9553 -11.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6697 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3842 -11.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0987 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8132 -11.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5276 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2421 -11.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9566 -11.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9566 -12.6492 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 85 86 1 0 0 0 0 86 87 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 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 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 0 100 23 1 0 0 0 0 100101 2 0 0 0 0 M END > BMDB0010244 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,73-75,80H,5-20,24,28-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-/t73-,74-,75-/m1/s1 > PPNASYWUDWBRIL-ANRVGMDVSA-N > C79H142O17P2 > 1425.9101 > 1424.972226142 > 9 > 168.92238316856037 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid > 9.19 > 24.208999111333327 > -7.31 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 404.40729999999996 > 78 > 0 > 7.02e-05 g/l > (2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(3-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid > 0 > BMDB0010244 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0) $$$$