Mrv1652303302021362D 65 64 0 0 1 0 999 V2000 17.1789 -8.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3224 -8.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8934 -9.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4646 -7.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0368 -9.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6079 -11.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8921 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1777 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6067 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4632 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3211 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7489 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0355 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0343 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8909 -10.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8947 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1765 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6091 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8909 -9.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1802 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4646 -13.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7500 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7500 -13.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1765 -12.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3237 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1815 -6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8959 -5.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4632 -16.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1777 -15.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4646 -12.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 -9.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7500 -14.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1815 -7.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4659 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8959 -5.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7489 -15.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8921 -16.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3198 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 -12.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1789 -12.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0381 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0355 -14.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4669 -7.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6104 -4.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0343 -16.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6067 -15.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7512 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6079 -8.7230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1789 -11.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 -13.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4646 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7526 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4669 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6104 -3.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0355 -15.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3198 -15.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3211 -16.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8934 -8.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6079 -9.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0368 -8.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8934 -10.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7474 -13.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3248 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6054 -16.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 52 1 0 0 0 0 1 59 1 0 0 0 0 49 2 1 6 0 0 0 2 61 1 0 0 0 0 3 60 1 0 0 0 0 3 62 1 0 0 0 0 4 52 2 0 0 0 0 5 61 2 0 0 0 0 6 62 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 22 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 31 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 30 1 0 0 0 0 22 52 1 0 0 0 0 23 32 1 0 0 0 0 24 39 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 30 40 1 0 0 0 0 31 46 1 0 0 0 0 32 42 1 0 0 0 0 33 43 1 0 0 0 0 34 48 1 0 0 0 0 35 44 1 0 0 0 0 36 45 1 0 0 0 0 37 47 1 0 0 0 0 38 46 2 0 0 0 0 39 51 1 0 0 0 0 40 50 1 0 0 0 0 41 53 1 0 0 0 0 42 56 1 0 0 0 0 43 54 1 0 0 0 0 44 55 1 0 0 0 0 45 57 1 0 0 0 0 47 58 1 0 0 0 0 48 61 1 0 0 0 0 49 59 1 0 0 0 0 49 60 1 0 0 0 0 50 62 1 0 0 0 0 51 63 1 0 0 0 0 53 54 2 0 0 0 0 55 64 1 0 0 0 0 56 58 2 0 0 0 0 57 65 1 0 0 0 0 M END > CDB002433 > CDB > CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C59H108O6/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/h25-28,30-31,56H,4-24,29,32-55H2,1-3H3/b28-25-,30-26-,31-27-/t56-/m1/s1 > QXMHHXQBBKDSSL-BAQZNRHJSA-N > C59H108O6 > 913.4852 > 912.814591188 > 3 > 173 > 121.68021263656335 > 0 > 0 > 0 > 0 > (2S)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl (11Z)-icos-11-enoate > 10.79 > 21.394932034333337 > -8.18 > 0 > 0 > 0 > -6.565867985366706 > 78.9 > 281.4481 > 55 > 0 > 6.04e-06 g/l > (2S)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl (11Z)-icos-11-enoate > 0 > CDB002433 > TG(20:1(11Z)/18:1(9Z)/18:1(9Z)) $$$$