LMGL03012492 LIPID_MAPS_STRUCTURE_DATABASE 76 75 0 0 0 0 0 0 0 0999 V2000 23.0188 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3024 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5862 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8698 6.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1536 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1536 8.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7164 6.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8884 6.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1721 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1721 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4560 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4373 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0188 8.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6037 8.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6037 9.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3200 8.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7342 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0123 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2905 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5686 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8467 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1249 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4030 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6811 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9592 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2374 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5155 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7936 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0717 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3499 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6280 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9061 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4624 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7405 6.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0186 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7156 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9937 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2718 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5500 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8281 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1062 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3843 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6625 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9406 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2187 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4969 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7750 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3312 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6094 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1656 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4437 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8824 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1605 9.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4386 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7168 9.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9949 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2730 9.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5511 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8293 9.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1074 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3855 9.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6637 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9418 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2199 9.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4980 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7762 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0543 9.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3324 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6106 9.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 10.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1668 9.6101 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 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 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 1 0 0 0 0 59 60 1 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 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 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 M END > LMGL03012492 > TG 22:1(13Z)/22:1(13Z)/22:2(13Z,16Z) [iso3] > 1,2-di-(13Z-docosenoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol > C69H126O6 > 1050.96 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(22:1/22:1/22:2)[iso3]; TG(66:4); TG(22:1_22:1_22:2) > JOPQHPYVDMGMRT-UAJGVSGSSA-N > InChI=1S/C69H126O6/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/h16,19,25-30,66H,4-15,17-18,20-24,31-65H2,1-3H3/b19-16-,28-25-,29-26-,30-27-/t66-/m0/s1 > C(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O > - > - > - > TG 66:4 > - > SLM:000282229 > 9546450 > - > - > - > - > - > - > - $$$$