Mrv0541 02251205102D 100 99 0 0 1 0 999 V2000 0.6843 13.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1337 13.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 13.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4069 12.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2308 12.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6802 11.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 11.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9534 11.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 11.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2266 10.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 10.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2489 11.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6234 12.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4472 12.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8217 12.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6456 13.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0201 13.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5707 14.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8439 13.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2184 14.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0423 14.5882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4168 15.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2406 15.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6151 16.1016 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.3502 15.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8800 16.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9896 16.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8135 16.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1879 17.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7386 18.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0118 17.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3863 18.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2102 18.4367 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.2534 17.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1669 19.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0340 18.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4085 19.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2324 19.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6069 19.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4307 20.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8052 20.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3558 21.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6291 20.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0036 21.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8274 21.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2019 22.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0258 22.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4003 23.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2241 23.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5986 23.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4225 23.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7970 24.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3476 25.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7221 26.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2727 26.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6472 27.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1978 28.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5723 28.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1229 29.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6818 18.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3073 17.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4834 17.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7566 17.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3822 16.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8315 15.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4571 14.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9064 14.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5320 13.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9813 12.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6069 12.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0562 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6818 10.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1311 10.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7566 9.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9328 9.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5583 8.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7344 8.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3599 7.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5361 7.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4916 13.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1172 13.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2933 13.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5665 12.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1921 11.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6414 11.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2670 10.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7163 9.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3419 8.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7912 8.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4168 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8661 6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4916 6.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6678 5.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2933 5.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4694 5.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 4.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2711 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8662 14.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0563 19.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 4 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 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 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 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 50 1 0 0 0 0 51 50 1 4 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 54 53 1 4 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 39 61 1 1 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 62 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 71 1 0 0 0 0 71 72 1 0 0 0 0 73 72 1 4 0 0 0 73 74 2 0 0 0 0 74 75 1 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 22 81 1 6 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 84 85 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 91 90 1 4 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 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 22 99 1 1 0 0 0 39100 1 6 0 0 0 M END > NP0338903 > NP-MRD > [H][C@@](COC(=O)CCCCCCCC=CCC=CCCCCC)(COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC > InChI=1S/C79H144O17P2/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/h22,26-28,31-34,36-37,73-75,80H,5-21,23-25,29-30,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/t73?,74-,75-/m1/s1 > JYGXRRMGZLOSFU-LAPMJKMRSA-N > C79H144O17P2 > 1427.926 > 1426.987876206 > 9 > 172.50832475313217 > 0 > 3 > 0 > 0 > [(2R)-2-(hexadec-9-enoyloxy)-3-(octadec-9-enoyloxy)propoxy][2-hydroxy-3-({hydroxy[(2R)-2-(octadec-11-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.09 > 24.570920768 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 403.29069999999984 > 79 > 0 > 7.15e-05 g/l > (2R)-2-(hexadec-9-enoyloxy)-3-(octadec-9-enoyloxy)propoxy(2-hydroxy-3-{[hydroxy(2R)-2-(octadec-11-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxyphosphoryl]oxy}propoxy)phosphinic acid > 0 > NP0338903 > CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:1(9Z)) $$$$