52929097 CDK 0829231232 53 52 0 0 0 0 0 0 0 0999 V2000 10.2239 3.8174 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 3.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 2.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 2.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 3.4048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 4.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8114 3.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6364 4.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5136 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2281 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9426 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6571 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3715 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0860 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -4.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -3.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -3.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -4.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -4.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -3.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8006 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -2.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -3.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 3.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -4.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 3.4048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7949 -3.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 0.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 3.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 1.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 42 1 0 0 0 0 47 2 1 6 0 0 0 3 50 1 0 0 0 0 3 53 1 0 0 0 0 4 42 2 0 0 0 0 5 52 1 0 0 0 0 6 53 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 38 1 0 0 0 0 29 42 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 37 1 0 0 0 0 34 41 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 45 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 41 46 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 45 51 1 0 0 0 0 46 48 2 0 0 0 0 47 50 1 0 0 0 0 47 52 1 0 0 0 0 49 53 1 0 0 0 0 M END > CHEBI:196838 > PA(19:1(9Z)/22:0) > 2 > [(2R)-1-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] docosanoate > C44H85O8P > 773.130 > 772.59821 > 0 > P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(O)(O)=O > InChI=1S/C44H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h20,24,42H,3-19,21-23,25-41H2,1-2H3,(H2,47,48,49)/b24-20-/t42-/m1/s1 > XGBVCVYQXLMFFH-MLIYJITJSA-N > LMGP10010504 $$$$