LMGL03012565 LIPID_MAPS_STRUCTURE_DATABASE 76 75 0 0 0 0 0 0 0 0999 V2000 23.2458 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5203 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7951 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0697 6.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3445 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3445 8.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9395 6.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1011 6.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3759 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3759 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6507 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6192 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2458 8.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8380 8.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8380 9.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5634 8.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9198 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1889 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4579 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9960 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2650 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5340 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8031 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0721 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3411 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6102 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8792 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1482 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4173 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6863 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9553 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2244 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4934 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7624 6.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0315 5.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8883 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1574 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4264 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6954 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9645 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2335 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5026 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7716 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0406 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5787 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8477 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1168 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3858 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6548 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1929 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4619 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1076 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3767 9.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6457 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9147 9.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1838 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4528 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7218 9.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9909 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2599 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5289 9.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7980 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0670 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3361 9.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6051 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8741 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1432 9.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4122 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6812 10.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9503 9.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2193 10.0868 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 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 1 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 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 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 15 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 M END > LMGL03012565 > TG 22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z) [iso3] > 1,2-di-(10Z,13Z,16Z-docosatrienoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol > C69H112O6 > 1036.85 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(22:3/22:3/22:5)[iso3]; TG(66:11); TG(22:3_22:3_22:5) > NSXHFUNPPLJNEE-MNDIOBARSA-N > InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-39,43,46,66H,4-6,8-9,11-15,22-24,31-33,40-42,44-45,47-65H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-/t66-/m0/s1 > C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O > - > - > - > TG 66:11 > - > SLM:000275582 > 9546523 > - > - > - > - > - > - > - $$$$