LMGL03012579 LIPID_MAPS_STRUCTURE_DATABASE 76 75 0 0 0 0 0 0 0 0999 V2000 23.1806 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4577 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7351 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0122 6.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2896 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2896 8.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8754 6.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0400 6.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3173 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3173 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5947 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5669 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1806 8.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7706 8.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7706 9.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4934 8.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8665 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1381 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4098 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6814 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9531 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2247 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4964 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7680 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0396 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3113 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5829 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8546 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6695 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9412 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2128 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4845 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7561 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0278 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8387 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1103 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3820 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6536 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9253 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1969 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4686 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7402 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0119 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2835 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5552 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8268 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0985 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3701 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6418 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9134 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1851 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4567 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7284 6.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0429 10.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3145 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5862 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8578 10.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1295 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4011 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6728 10.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9444 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2161 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4877 10.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7594 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0310 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3027 10.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5743 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8460 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1176 10.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3893 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6609 9.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 10.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 9.6514 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 2 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 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 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 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 > LMGL03012579 > TG 22:1(13Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z) [iso6] > 1-(13Z-docosenoyl)-2-(13Z,16Z-docosadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol > C69H116O6 > 1040.88 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(22:1/22:2/22:6)[iso6]; TG(66:9); TG(22:1_22:2_22:6) > HFLSQOHZZQPWKH-KKJQMAAWSA-N > InChI=1S/C69H116O6/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/h7,10,16,18-19,21,25-30,34,37,43,46,52,55,66H,4-6,8-9,11-15,17,20,22-24,31-33,35-36,38-42,44-45,47-51,53-54,56-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,46-43-,55-52-/t66-/m0/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(CCCCCCCCCCC/C=C\CCCCCCCC)=O > - > - > - > TG 66:9 > - > SLM:000277415 > 9546537 > - > - > - > - > - > - > - $$$$