Mrv1652303302019442D 64 63 0 0 1 0 999 V2000 27.4575 -12.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 6.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7742 5.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8940 -11.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 6.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9496 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5060 -10.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5131 5.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9425 -9.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7245 5.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6886 5.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5545 -9.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1125 4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2521 4.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9910 -8.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9371 4.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4276 4.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6030 -7.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3251 4.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9910 3.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0395 -7.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1496 4.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1665 3.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6515 -6.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5376 3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0880 -5.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7000 -4.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3621 3.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8755 -4.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7300 2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4875 -4.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7501 2.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9055 3.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6630 -4.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5747 2.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4690 2.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2750 -3.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9627 1.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6444 2.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4504 -3.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7872 1.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2079 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0624 -2.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1752 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3834 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2379 -2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9997 1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9469 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8499 -1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3878 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8613 0.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8128 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4248 -0.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1224 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0254 -1.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2123 0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7344 1.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5888 -2.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6488 1.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6859 0.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6374 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6003 -0.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2493 -0.3887 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 25 2 0 0 0 0 27 28 1 4 0 0 0 29 26 1 0 0 0 0 30 28 1 0 0 0 0 31 24 1 0 0 0 0 32 30 1 0 0 0 0 33 29 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 54 52 1 0 0 0 0 54 53 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 55 2 0 0 0 0 59 56 2 0 0 0 0 60 57 2 0 0 0 0 61 52 1 0 0 0 0 61 55 1 0 0 0 0 62 53 1 0 0 0 0 62 56 1 0 0 0 0 54 63 1 1 0 0 0 63 57 1 0 0 0 0 54 64 1 1 0 0 0 M END > CDB000812 > CDB > [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27,54H,4-24,26,28-53H2,1-3H3/t54-/m1/s1 > AOSKWYIWKDMXST-AXAMJWTMSA-N > C57H108O6 > 889.4638 > 888.814591188 > 3 > 171 > 120.66407116836179 > 0 > 0 > 0 > 0 > (2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl icos-11-enoate > 10.72 > 21.229638017666666 > -7.91 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 270.01289999999995 > 55 > 0 > 1.09e-05 g/l > (2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl icos-11-enoate > 0 > CDB000812 > TG(16:0/18:0/20:1(11Z))[iso6] $$$$