Mrv1652303302021362D 65 64 0 0 1 0 999 V2000 16.8197 -10.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2487 -9.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1053 -9.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5342 -11.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3909 -8.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9632 -10.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2474 -16.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9618 -16.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2474 -17.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9618 -15.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5329 -18.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6764 -15.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5329 -18.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6764 -14.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 -19.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3909 -14.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 -20.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3909 -13.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -20.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1053 -12.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -21.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1053 -11.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5329 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3894 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2474 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6751 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9618 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3894 -21.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9606 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8197 -11.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8210 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8172 -11.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5354 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1066 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1028 -11.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6764 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8172 -10.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2499 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1028 -12.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1079 -7.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8223 -6.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3921 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5316 -10.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5342 -9.5012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.1079 -7.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8223 -5.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2461 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5342 -10.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3883 -13.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9645 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6776 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3933 -8.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5367 -5.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5316 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8197 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3909 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3883 -14.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6789 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3933 -9.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5367 -4.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9632 -9.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6737 -14.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2512 -4.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 46 2 1 6 0 0 0 2 63 1 0 0 0 0 3 57 1 0 0 0 0 3 58 1 0 0 0 0 4 32 2 0 0 0 0 5 58 2 0 0 0 0 6 63 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 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 30 1 0 0 0 0 22 32 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 29 38 1 0 0 0 0 31 49 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 36 44 1 0 0 0 0 37 41 1 0 0 0 0 38 58 1 0 0 0 0 39 45 1 0 0 0 0 40 52 1 0 0 0 0 41 51 1 0 0 0 0 42 43 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 53 1 0 0 0 0 45 56 1 0 0 0 0 46 50 1 0 0 0 0 46 57 1 0 0 0 0 47 54 1 0 0 0 0 48 55 1 0 0 0 0 49 56 2 0 0 0 0 51 59 1 0 0 0 0 52 60 1 0 0 0 0 53 63 1 0 0 0 0 54 61 1 0 0 0 0 55 62 1 0 0 0 0 59 64 1 0 0 0 0 60 61 2 0 0 0 0 62 65 1 0 0 0 0 M END > CDB002432 > CDB > CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h25,27-28,31,56H,4-24,26,29-30,32-55H2,1-3H3/b28-25-,31-27-/t56-/m1/s1 > OWMDNFFJJVRJMG-BMPUKRIOSA-N > C59H110O6 > 915.5011 > 914.830241252 > 3 > 175 > 123.14017845253564 > 0 > 0 > 0 > 0 > (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propyl (11Z)-icos-11-enoate > 10.75 > 21.756853691000003 > -8.06 > 0 > 0 > 0 > -6.565867985366683 > 78.9 > 280.33149999999995 > 56 > 0 > 8.01e-06 g/l > (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propyl (11Z)-icos-11-enoate > 0 > CDB002432 > TG(20:1(11Z)/18:1(9Z)/18:0) $$$$