LMGL03013647 LIPID_MAPS_STRUCTURE_DATABASE 65 64 0 0 0 0 0 0 0 0999 V2000 21.2657 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5498 6.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8342 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1183 6.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4027 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4027 8.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9634 6.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1361 6.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4204 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4204 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7048 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6870 6.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2657 8.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8501 8.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8501 9.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5659 8.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9836 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2623 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5410 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8197 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0984 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3771 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6558 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9344 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2131 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4918 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7705 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0492 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3279 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6066 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8853 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1639 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4426 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7213 6.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9658 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2445 6.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5231 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8018 6.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0805 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3592 6.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6379 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9166 6.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1953 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4740 6.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1294 10.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4080 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6867 10.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9654 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2441 10.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5228 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8015 10.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0802 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3589 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6375 10.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9162 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1949 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4736 10.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7523 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0310 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3097 10.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5884 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8670 10.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1457 9.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4244 10.0196 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 2 8 1 6 0 0 0 2 7 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 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 34 1 0 0 0 0 34 35 1 0 0 0 0 12 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 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 15 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 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 M END > LMGL03013647 > TG 12:0/21:0/22:3(10Z,13Z,16Z) [iso6] > 1-dodecanoyl-2-heneicosanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol > C58H106O6 > 898.80 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(55:3); TG(12:0_21:0_22:3) > VXXFVOVCEFDZGM-IUVSIZSWSA-N > InChI=1S/C58H106O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-35-33-30-28-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,29,31,55H,4-15,17-18,20-22,24,26-28,30,32-54H2,1-3H3/b19-16-,25-23-,31-29-/t55-/m1/s1 > C(OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O > - > - > - > TG 55:3 > - > SLM:000183578 > 56937437 > - > - > - > - > - > - > - $$$$