LMGL03012328 LIPID_MAPS_STRUCTURE_DATABASE 71 70 0 0 0 0 0 0 0 0999 V2000 22.3404 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6096 6.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8791 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1483 6.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4178 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4178 8.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0319 6.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1874 6.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4568 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4568 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7263 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6872 6.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3404 8.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9369 8.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9369 9.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6676 8.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9901 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2537 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5174 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7811 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0448 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3085 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5721 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8358 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0995 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3632 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6269 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8906 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9453 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4726 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7363 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9510 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2147 6.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4784 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7421 6.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0058 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2694 6.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5331 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7968 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0605 6.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3242 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5878 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8515 6.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1152 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3789 6.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6426 7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2012 10.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4649 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7286 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9923 10.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2560 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5196 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7833 10.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0470 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3107 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5744 10.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8380 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1017 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3654 10.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6291 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8928 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1564 10.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4201 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6838 9.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9475 10.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2112 9.7023 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 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 12 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 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 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 15 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 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 M END > LMGL03012328 > TG 17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z) [iso3] > 1-(9Z,12Z-heptadecadienoyl)-2,3-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol > C64H96O6 > 960.72 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(17:2/22:6/22:6)[iso3]; TG(61:14); TG(17:2_22:6_22:6) > BUQSICXPXHSLNR-JSDHZUDFSA-N > InChI=1S/C64H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-29,32-35,39-40,42-43,48-49,51-52,61H,4-6,9,12-14,21-23,30-31,36-38,41,44-47,50,53-60H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,34-32-,35-33-,42-39-,43-40-,51-48-,52-49-/t61-/m1/s1 > C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O > - > - > - > TG 61:14 > - > - > 9546288 > - > - > - > - > - > - > - $$$$