LMGL03050001 LIPID_MAPS_STRUCTURE_DATABASE 66 65 0 0 0 0 0 0 0 0999 V2000 19.9287 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2427 6.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5568 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8708 6.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1848 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1848 8.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6391 6.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8462 6.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1603 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1603 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8757 9.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6592 10.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4790 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7731 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0674 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3615 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6556 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9499 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5381 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4510 6.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7416 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0323 6.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3231 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6138 6.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9044 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1951 6.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4858 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9287 8.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4888 8.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4888 9.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1750 8.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6593 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9639 6.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2684 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5106 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8606 6.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2105 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3642 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6688 6.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9733 5.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6770 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9480 6.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4019 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7636 6.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1253 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6383 6.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0924 9.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1737 9.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3369 9.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5146 9.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7105 9.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9064 9.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1023 9.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2982 9.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9064 8.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5039 9.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7064 9.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 9.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 9.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4225 9.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6611 9.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8999 9.1018 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 12 11 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 9 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 1 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 12 31 1 0 0 0 0 2 8 1 6 0 0 0 2 7 1 1 0 0 0 28 33 2 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 35 36 2 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 38 39 2 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 20 42 2 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 44 45 2 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 47 48 2 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 11 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 2 0 0 0 0 56 59 2 0 0 0 0 58 60 1 0 0 0 0 60 61 2 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 M END > LMGL03050001 > > 1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol > C57H88O8 > 900.65 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerol estolides [GL0305] > - > > MURVBZHSZNEGRB-PCWWDKSPSA-N > InChI=1S/C57H88O8/c1-4-7-10-13-16-18-20-22-24-26-28-30-33-37-42-47-55(59)63-51-53(65-57(61)49-44-38-34-31-29-27-25-23-21-19-17-14-11-8-5-2)52-64-56(60)48-43-39-35-40-45-50-62-54(58)46-41-36-32-15-12-9-6-3/h7-8,10-11,16-19,22-25,32,35-36,41,45-46,53H,4-6,9,12-15,20-21,26-31,33-34,37-39,42-44,47-52H2,1-3H3/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,36-32-,46-41+/t40?,53-/m1/s1 > C(OC(=O)CCCC=C=CCOC(=O)/C=C/C=C\CCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O > - > - > - > TG 54:11;O2 > - > - > 5282286 > - > - > - > - > - > - > - $$$$