Mrv1652303302019452D 68 67 0 0 1 0 999 V2000 29.9735 -12.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9223 7.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4855 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4076 -11.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7469 7.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6609 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0169 -10.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2268 5.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4510 -9.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9621 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4022 5.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0603 -9.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3527 5.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9682 5.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4944 -8.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1773 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1436 5.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1037 -7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5680 4.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7096 4.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5378 -7.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3926 4.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8850 4.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1471 -6.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7832 4.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4510 3.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5812 -5.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6078 4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1905 -4.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9984 3.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6263 3.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3659 -4.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8230 3.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1923 3.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9753 -4.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2136 2.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3677 3.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1507 -4.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0383 2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9337 2.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7601 -3.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4289 1.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1091 2.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9355 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2535 1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6751 1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5449 -2.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6441 1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8504 1.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7202 -2.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4687 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4164 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3296 -1.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8593 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3332 0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2898 -1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8992 -0.3604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.5918 1.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5050 -1.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6839 0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2012 1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0710 -2.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1180 1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1578 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1144 -1.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0746 -0.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7238 -0.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 26 1 0 0 0 0 28 30 1 4 0 0 0 31 29 1 0 0 0 0 32 27 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 58 56 1 0 0 0 0 58 57 1 0 0 0 0 59 53 1 0 0 0 0 60 54 1 0 0 0 0 61 55 1 0 0 0 0 62 59 2 0 0 0 0 63 60 2 0 0 0 0 64 61 2 0 0 0 0 65 56 1 0 0 0 0 65 59 1 0 0 0 0 66 57 1 0 0 0 0 66 60 1 0 0 0 0 58 67 1 1 0 0 0 67 61 1 0 0 0 0 58 68 1 1 0 0 0 M END > CDB000826 > CDB > [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC > InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,58H,4-24,26-27,29-57H2,1-3H3/t58-/m1/s1 > IEHYPXAMXPJCDQ-QPUWJJAWSA-N > C61H116O6 > 945.5701 > 944.877191444 > 3 > 183 > 129.25685645190015 > 0 > 0 > 0 > 0 > (2R)-2-(icosanoyloxy)-3-(octadecanoyloxy)propyl icos-11-enoate > 10.71 > 23.007912677666667 > -7.93 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 288.41689999999994 > 59 > 0 > 1.10e-05 g/l > (2R)-2-(icosanoyloxy)-3-(octadecanoyloxy)propyl icos-11-enoate > 0 > CDB000826 > TG(18:0/20:0/20:1(11Z))[iso6] $$$$