LMGP01020333 LIPID_MAPS_STRUCTURE_DATABASE 52 51 0 0 0 0 0 0 0 0999 V2000 -2.5262 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3896 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 0.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0271 -0.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0253 -0.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 1.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 0.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 0.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 0.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.0374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 0.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 -0.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4297 0.9061 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 0.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4297 1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9298 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9298 -1.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 -0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6629 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5332 -0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4035 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2738 -0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1442 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0145 -0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8848 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7551 -0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6254 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4957 -0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2363 -0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1066 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9769 -0.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1238 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9941 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8644 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7347 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6051 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4754 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3457 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2160 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0863 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9566 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8269 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6972 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5675 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4378 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3081 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1784 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0487 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.9191 1.0538 0.0000 C 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 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 8 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 5 1 0 0 0 0 15 7 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 3 35 1 0 0 0 0 35 36 1 0 0 0 0 36 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 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 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 2 11 1 16 -1 M END > LMGP01020333 > PC O-18:1(8Z)/16:0 > 1-(8Z-octadecenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine > C42H84NO7P > 745.60 > Glycerophospholipids [GP] > Glycerophosphocholines [GP01] > 1-alkyl,2-acylglycerophosphocholines [GP0102] > - > > XNYGFLARNCLUNT-XUUAZBNISA-N > InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h21-22,41H,6-20,23-40H2,1-5H3/b22-21-/t41-/m1/s1 > [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCC)=O)COCCCCCCC/C=C\CCCCCCCCC > - > - > - > PC O-34:1 > - > - > 178328892 > - > - > - > - > - > 10090 > 40790030 $$$$