Mrv0541 02241200492D 111110 0 0 1 0 999 V2000 26.4774 -9.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8956 -8.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4230 -7.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9500 -10.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8412 -6.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7225 -7.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0611 -7.8649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1570 -5.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1959 -5.5957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2346 -5.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1182 -5.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2734 -5.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3898 -6.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9767 -6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3445 -5.1901 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.4731 -5.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3445 -3.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4382 -9.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4771 -10.1479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5158 -9.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3994 -10.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5546 -10.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6430 -10.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2299 -11.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6257 -9.6745 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.6257 -8.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2062 -10.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9838 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1273 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5562 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2707 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6997 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4142 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1287 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8431 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5576 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2721 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9865 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7010 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4155 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1300 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8445 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5589 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5589 -4.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 -10.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4085 -9.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1230 -10.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8374 -9.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5519 -10.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2664 -9.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9809 -9.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6954 -10.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4098 -9.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1243 -9.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8388 -10.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5533 -9.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2678 -10.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9823 -9.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6967 -10.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4112 -9.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1257 -10.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8401 -9.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8401 -8.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7825 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 -11.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9259 -11.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6404 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3549 -11.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0694 -11.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7838 -10.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4983 -11.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2128 -11.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9272 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6417 -11.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3562 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0707 -11.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7852 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4996 -11.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2141 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9286 -11.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9286 -12.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6713 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1003 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8148 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2437 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9582 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6727 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3871 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1016 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8161 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5306 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2451 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9596 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6740 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3885 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1030 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8174 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5320 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2464 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9609 -6.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6754 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6754 -7.6495 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 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 56 2 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 2 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 1 0 0 0 0 68 67 1 0 0 0 0 69 68 2 0 0 0 0 22 68 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 1 0 0 0 0 75 74 1 0 0 0 0 76 75 2 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 78 2 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 1 0 0 0 0 87 86 1 0 0 0 0 88 87 2 0 0 0 0 23 87 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 2 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 2 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110 13 1 0 0 0 0 110111 2 0 0 0 0 M END > BMDB0010312 > 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)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C89H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-38,41-46,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,29-32,39-40,47-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,43-41-,44-42-,45-35-,46-36-,54-50-,56-52-,66-62-,68-64-/t83-,84-,85-/m1/s1 > KRRKIACLRUPTQQ-LNQVJMAWSA-N > C89H142O17P2 > 1546.0171 > 1544.972226142 > 9 > 177.23794506778432 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy][3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid > 8.83 > 25.035469194666668 > -7.16 > 0 > 0 > -2 > 2.191804358190393 > 1.589737614287655 > -3.4105029523385797 > 236.94999999999996 > 461.5832999999996 > 78 > 0 > 1.08e-04 g/l > (2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy(3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid > 0 > BMDB0010312 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) $$$$