Mol:LBG00ckk:CBZ1Sk013:18109SC01:R
53 56 0 0 0 0 0 0 0 0999 V2000 1.4973 -1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 0.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4541 -0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6758 0.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4541 1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -2.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -4.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1030 -3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -2.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -1.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 -1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 -2.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5122 -4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 -3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -2.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5122 -2.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5694 -4.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5694 -5.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -6.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 -5.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 -4.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 -3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5694 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5694 -4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 0.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 0.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 1.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -1.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 -0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 1.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 1.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 1.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 1.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 3.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 4.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9195 4.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9195 5.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7444 5.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7444 6.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5694 6.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 2 7 1 0 8 9 1 0 8 10 1 0 8 11 1 0 9 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 9 16 1 0 11 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 11 21 1 0 10 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 10 26 1 0 1 27 1 0 8 28 1 0 27 28 1 0 19 29 1 0 29 30 1 0 1 31 1 0 2 34 1 0 31 32 1 0 32 33 1 0 33 34 1 0 1 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 2 28 29 M SMT 1 CH2O M SBV 1 28 0.0000 2.1922 M SBV 1 29 2.6056 -0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 31 M SMT 2 OCH3 M SBV 2 31 -0.8248 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 31 32 33 34 M SBL 3 2 33 34 M SMT 3 CH2OCO M SBV 3 33 0.0000 -1.8432 M SBV 3 34 0.8789 -0.8249 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 15 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 M SAL 4 4 50 51 52 53 M SBL 4 1 38 M SMT 4 ^O(H2C)8HC=HC(H2C)7H3C M SBV 4 38 0.6422 0.0000 S SKP 5 ID LBG00ckk:CBZ1Sk013:18109SC01:R:01 FORMULA C48H64O5 EXACTMASS 720.4753751579999 AVERAGEMASS 721.0187599999999 SMILES CCCCCCCCC=CCCCCCCCCOC(COC(c(c4)ccc(OC)c4)(c(c3)cccc3)c(c2)cccc2)COCOc(c1)cccc1 M END
