131761277 CDK 0429211258 69 68 0 0 0 0 0 0 0 0999 V2000 13.0818 1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 2.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 5.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 6.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 4.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 6.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 5.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 7.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 4.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -3.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 1.2870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0818 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 0.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 7.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -4.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 5.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 4.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -4.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 4.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -5.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -5.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -6.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -5.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -7.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -6.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -6.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -7.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 36 1 0 0 0 0 2 28 2 0 0 0 0 37 3 1 6 0 0 0 3 48 1 0 0 0 0 4 41 1 0 0 0 0 4 45 1 0 0 0 0 5 45 2 0 0 0 0 6 48 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 19 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 19 28 1 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 42 1 0 0 0 0 33 44 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 37 41 1 0 0 0 0 38 40 1 0 0 0 0 39 43 1 0 0 0 0 40 45 1 0 0 0 0 43 47 1 0 0 0 0 44 46 2 0 0 0 0 46 50 1 0 0 0 0 47 52 2 0 0 0 0 48 49 1 0 0 0 0 49 51 1 0 0 0 0 50 55 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 56 1 0 0 0 0 54 61 1 0 0 0 0 55 57 2 0 0 0 0 56 59 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 61 65 2 0 0 0 0 62 64 1 0 0 0 0 63 67 1 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 66 68 1 0 0 0 0 67 68 2 0 0 0 0 M END > CHEBI:172189 > TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6) > 2 > [(2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (Z)-icos-11-enoate > C63H108O6 > 961.551 > 960.81459 > 0 > O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC > InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,36-37,39,45,48,60H,4-15,17-18,20-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1 > HGEMIPVNLLSWGB-MYFDCNEZSA-N $$$$