Mol:LBG00kk-:R:18109SC01
46 48 0 0 0 0 0 0 0 0999 V2000 -3.5085 2.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5085 3.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 -1.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 0.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 1.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 1.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 0.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8115 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 -2.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 -0.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 -1.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5085 4.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6836 4.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5085 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 -0.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 -1.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 2.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2088 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2088 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 -2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 -2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 -3.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 -3.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 -3.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 -3.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 -4.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3334 -4.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 4 10 1 0 3 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 3 15 1 0 5 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 20 1 0 13 21 1 0 21 22 1 0 1 23 1 0 23 24 1 0 1 25 1 0 3 27 1 0 4 27 1 0 5 27 1 0 25 26 1 0 26 27 1 0 1 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 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 1 0 45 46 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 20 M SMT 1 OCH3 M SBV 1 20 -0.8248 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 22 M SMT 2 CH2OH M SBV 2 22 0.0000 -2.1631 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 25 26 27 M SBL 3 4 24 25 26 27 M SMT 3 CH2-O-C M SBV 3 24 0.0000 2.9485 M SBV 3 25 3.5033 0.8249 M SBV 3 26 2.4748 1.6499 M SBV 3 27 2.4748 -0.0001 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 15 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 M SAL 4 4 43 44 45 46 M SBL 4 1 30 M SMT 4 O(CH2)8CH=CH(CH2)7CH3 M SBV 4 30 -0.4175 0.0000 S SKP 5 ID LBG00kk-:R:18109SC01::01 FORMULA C42H60O4 EXACTMASS 628.449160408 AVERAGEMASS 628.9234 SMILES C(CO)(C)(COC(c(c3)ccc(c3)OC)(c(c2)cccc2)c(c1)cccc1)OCCCCCCCCC=CCCCCCCCC M END
