Mrv0541 02241200392D 105104 0 0 1 0 999 V2000 24.4079 -8.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8261 -7.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3535 -6.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8805 -9.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7717 -5.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6530 -7.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9917 -7.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0876 -4.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1265 -4.8406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1652 -4.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0487 -4.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2039 -4.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3204 -5.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9073 -5.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2751 -4.4350 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.4035 -4.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2751 -3.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3688 -8.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4076 -9.3928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4464 -8.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3299 -9.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4851 -9.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5736 -10.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1605 -10.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5563 -8.9194 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.5563 -8.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1367 -9.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6246 -9.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 -8.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 -9.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 -8.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4824 -9.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 -8.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9115 -8.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6259 -9.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3404 -8.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0549 -8.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7693 -9.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4838 -8.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1983 -9.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9128 -8.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6273 -9.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3417 -8.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0562 -9.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7707 -8.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7707 -8.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4599 -5.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1743 -6.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8888 -5.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6033 -6.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3177 -5.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0323 -6.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7467 -6.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4612 -5.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1757 -6.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8901 -6.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6046 -5.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3191 -6.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0336 -5.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7481 -6.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4626 -5.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1770 -6.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8915 -5.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6060 -6.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6060 -6.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6289 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3434 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0578 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7723 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2013 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9158 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6303 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3447 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0592 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7737 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4881 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2026 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9171 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6316 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3461 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0605 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7750 -4.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4895 -4.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4895 -3.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 -10.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4275 -10.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 -10.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 -10.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5709 -10.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2854 -10.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9999 -10.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7144 -10.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4288 -10.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1433 -10.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8578 -10.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5722 -10.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2868 -10.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0012 -10.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7157 -10.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4302 -10.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1446 -10.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8591 -10.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8591 -11.4746 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 22 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 13 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 1 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 1 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 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 1 0 0 0 0 91 90 1 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 1 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 1 0 0 0 0 104103 1 0 0 0 0 105104 2 0 0 0 0 23104 1 0 0 0 0 M END > BMDB0010258 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h22,24,26-28,31,33-34,36-37,39,41,77-79,84H,5-21,23,25,29-30,32,35,38,40,42-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22-,28-24-,31-27-,37-33-,39-34-,41-36-/t77-,78-,79-/m1/s1 > AQSFNERDFJAYEP-XTMZPXLQSA-N > C83H150O17P2 > 1482.0164 > 1481.034826398 > 9 > 177.06872328413957 > 0 > 3 > 0 > 0 > [2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.18 > 25.98727377133333 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 422.81129999999996 > 82 > 0 > 7.47e-05 g/l > 2-hydroxy-3-{[hydroxy(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0010258 > CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) $$$$