Mrv0541 02241200492D 109108 0 0 1 0 999 V2000 28.6588 -9.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0769 -8.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6044 -7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1314 -10.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0225 -6.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9039 -8.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2425 -8.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3384 -5.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3772 -6.0711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4160 -5.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2996 -6.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4548 -6.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5712 -6.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1581 -6.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5259 -5.6655 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.6544 -5.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5259 -4.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6196 -10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6584 -10.6233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6972 -10.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5808 -10.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7360 -10.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8244 -11.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4113 -11.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8071 -10.1499 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.8071 -9.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3876 -11.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7363 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4507 -5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1652 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8797 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5942 -5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3087 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0231 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7376 -5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4521 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1666 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8810 -5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5956 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3100 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0245 -5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7390 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4534 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1679 -5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8824 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5969 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3114 -5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0258 -6.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7403 -5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7403 -4.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2817 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9962 -7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7106 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4251 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1396 -7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8540 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5685 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2830 -7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9975 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7120 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4265 -7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1409 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8554 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5699 -7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2844 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9989 -7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7133 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4278 -7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1423 -6.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8567 -7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8567 -8.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8754 -10.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5899 -10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3043 -10.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0188 -10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7333 -10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4478 -10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1623 -10.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8767 -10.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5912 -10.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3057 -10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0202 -10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7346 -10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4492 -10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1636 -10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8781 -10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5926 -10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3070 -10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0215 -10.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0215 -9.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9639 -11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6783 -11.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3928 -11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1073 -11.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8217 -11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5363 -11.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2507 -11.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9652 -11.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6797 -11.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3941 -11.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1086 -11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8231 -11.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5376 -11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2521 -11.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9665 -11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6810 -11.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3955 -11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1100 -11.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1100 -12.7051 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 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 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 12 1 0 0 0 0 49 50 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 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 13 1 0 0 0 0 70 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 2 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 2 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 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 2 0 0 0 0 22 89 1 0 0 0 0 92 91 1 0 0 0 0 93 92 1 0 0 0 0 94 93 1 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 2 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 103102 1 0 0 0 0 104103 1 0 0 0 0 105104 1 0 0 0 0 106105 1 0 0 0 0 107106 1 0 0 0 0 108107 1 0 0 0 0 109108 2 0 0 0 0 23108 1 0 0 0 0 M END > BMDB0010311 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9-11,13-15,21-28,33-38,40,42-44,46,48,50,52,60,64,81-83,88H,5-8,12,16-20,29-32,39,41,45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,64-60-/t81-,82-,83-/m1/s1 > LOZMAZMZCODBRM-PUFACCRPSA-N > C87H140O17P2 > 1519.9798 > 1518.956576078 > 9 > 173.59114856321685 > 0 > 3 > 0 > 0 > [(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 8.78 > 24.50825352133333 > -7.16 > 0 > 0 > -2 > 2.1918043582151947 > 1.5897376143163378 > -3.4105029523385797 > 236.94999999999996 > 451.2646999999998 > 77 > 0 > 1.06e-04 g/l > (2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy(2-hydroxy-3-{[hydroxy(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy)phosphinic acid > 0 > BMDB0010311 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) $$$$