Mrv1652303302020122D 57 56 0 0 1 0 999 V2000 21.1683 -3.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4932 -3.5790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8180 -3.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8434 -3.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1429 -3.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9664 -4.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5185 -3.1893 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.1287 -2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9083 -3.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1936 -2.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8687 -3.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5438 -2.7995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.2190 -3.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0809 -4.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8568 -2.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1202 -2.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9318 -2.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7113 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4257 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1402 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5692 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2837 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9982 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7126 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4271 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1416 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8560 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5705 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2850 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9994 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7140 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4284 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4284 -2.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1057 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5346 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2491 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9635 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6781 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3926 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1071 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8215 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5360 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2505 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9650 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6795 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3940 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1084 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8230 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5374 -4.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2519 -4.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2519 -5.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5969 -3.1274 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.3370 -3.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9615 -2.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2323 -3.8675 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 6 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 2 14 1 1 0 0 0 13 15 1 0 0 0 0 12 16 1 6 0 0 0 12 17 1 1 0 0 0 18 19 1 0 0 0 0 19 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 26 27 1 0 0 0 0 27 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 5 1 0 0 0 0 33 34 2 0 0 0 0 36 35 1 0 0 0 0 37 36 1 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 2 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 2 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 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 6 52 1 0 0 0 0 55 54 2 0 0 0 0 56 54 1 0 0 0 0 57 54 1 0 0 0 0 15 54 1 0 0 0 0 M END > CDB001229 > CDB > [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41H,3-10,12,14-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b13-11-,18-17-/t37-,38+/m0/s1 > LWWCIHFWPVLJCA-WLGRLVTESA-N > C40H76O13P2 > 826.9712 > 826.476115542 > 8 > 131 > 93.21953353581421 > 0 > 4 > 0 > 0 > [(2S)-3-({[(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid > 7.07 > 10.978779504666665 > -6.00 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.35 > 217.61700000000005 > 42 > 0 > 8.26e-04 g/l > (2S)-3-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid > 0 > CDB001229 > PGP(16:0/18:2(9Z,12Z)) $$$$