LMGL03011964 LIPID_MAPS_STRUCTURE_DATABASE 70 69 0 0 0 0 0 0 0 0999 V2000 22.1445 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4220 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6998 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9772 6.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2550 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2550 8.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8395 6.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0045 6.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2822 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2822 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5599 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5326 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1445 8.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7343 8.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7343 9.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4568 8.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8320 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1040 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3760 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6480 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9200 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1920 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4640 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7360 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0080 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2800 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5520 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8240 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0960 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3680 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 5.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8047 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0767 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3487 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6207 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8927 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1647 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4367 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7087 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9807 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2527 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5247 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7967 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3407 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0069 10.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2789 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5509 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8229 10.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0949 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3669 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6389 10.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9109 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1829 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4549 10.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7269 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9989 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2709 10.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5429 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8149 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0869 10.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3589 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6309 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9029 10.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1749 9.6492 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 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 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 15 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 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 M END > LMGL03011964 > TG 16:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z) [iso6] > 1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol > C63H106O6 > 958.80 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(16:0/22:2/22:6)[iso6]; TG(60:8); TG(16:0_22:2_22:6) > SUSVIZFJFDUVRG-LJHMGBQNSA-N > InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,41-38-,50-47-/t60-/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(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCC)=O > - > - > - > TG 60:8 > - > SLM:000228462 > 9545925 > - > - > - > - > - > - > - $$$$