131758759 CDK 0427212326 59 58 0 0 0 0 0 0 0 0999 V2000 13.5248 2.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 1.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 0.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 3.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 1.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 -0.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 -3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 -3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2407 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 1.9058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3814 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3841 3.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9552 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3841 4.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6697 3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0986 4.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6697 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -5.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0986 5.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -5.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8132 6.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -5.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 1 0 0 0 1 37 1 0 0 0 0 2 30 1 0 0 0 0 2 32 1 0 0 0 0 3 34 1 0 0 0 0 3 42 1 0 0 0 0 4 30 2 0 0 0 0 5 37 2 0 0 0 0 6 42 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 17 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 30 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 29 1 0 0 0 0 25 31 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 32 1 0 0 0 0 28 34 1 0 0 0 0 29 42 1 0 0 0 0 31 43 1 0 0 0 0 33 44 2 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 36 41 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 45 1 0 0 0 0 43 46 2 0 0 0 0 44 47 1 0 0 0 0 45 50 1 0 0 0 0 46 48 1 0 0 0 0 47 51 1 0 0 0 0 48 49 1 0 0 0 0 49 52 1 0 0 0 0 51 55 2 0 0 0 0 52 58 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 59 1 0 0 0 0 M END > CHEBI:171384 > TG(14:1(9Z)/16:1(9Z)/20:2n6) > 2 > [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate > C53H94O6 > 827.329 > 826.70504 > 0 > O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCC/C=C\CCCCCC > InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15-16,18-20,23-25,50H,4-14,17,21-22,26-49H2,1-3H3/b18-15-,19-16-,23-20-,25-24-/t50-/m0/s1 > BVEHBZABGSQPIA-PFHOFWFYSA-N $$$$