PG(18:0/22:1(13Z)) Mrv1652303302023232D 59 58 0 0 0 0 999 V2000 14.0371 -24.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3621 -24.5487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6869 -24.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7123 -24.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0118 -24.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8352 -25.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3874 -24.1590 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.9976 -23.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7772 -24.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0625 -23.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7376 -24.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4127 -23.7692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0879 -24.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9498 -25.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7257 -23.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9890 -23.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8007 -23.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2973 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2973 -23.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5831 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8690 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1549 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4408 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7266 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2984 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4419 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0137 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5854 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -24.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8428 -24.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1208 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1208 -26.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4066 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6925 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9784 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5501 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1219 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4078 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7263 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8443 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5584 -25.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2725 -25.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9867 -25.7408 0.0000 C 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 5 18 1 0 0 0 0 37 6 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 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 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 37 38 2 0 0 0 0 37 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 1 0 0 0 0 43 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 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 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 M END > CDB003978 > CDB > [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C46H89O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,43-44,47-48H,3-16,18,20-42H2,1-2H3,(H,51,52)/b19-17-/t43-,44+/m0/s1 > KXPOTNXLADJVSI-XHZRVOHISA-N > C46H89O10P > 833.182 > 832.619336064 > 6 > 146 > 103.08460039148093 > 0 > 3 > 0 > 0 > [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid > 9.20 > 14.131679182666666 > -7.14 > 0 > 0 > -1 > 13.641245576372423 > 1.8907737771908404 > -2.9689647678483633 > 148.82000000000002 > 233.23350000000005 > 47 > 0 > 5.97e-05 g/l > (2S)-2,3-dihydroxypropoxy((2R)-2-[(13Z)-docos-13-enoyloxy]-3-(octadecanoyloxy)propoxy)phosphinic acid > 0 > CDB003978 > PG(18:0/22:1(13Z)) $$$$