Mol:LBG00-kk::18109SC01:R
46 48 0 0 0 0 0 0 0 0999 V2000 1.3341 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -3.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -2.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -4.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7008 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7008 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 -4.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2322 -4.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 -3.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2322 -2.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 -2.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -4.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -5.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -5.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -5.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -4.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 0.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4789 -3.3392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4789 -4.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 -3.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 -3.3392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 -4.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7044 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7044 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5293 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5293 1.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 1.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 2.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 2.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 3.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0041 3.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0041 4.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8291 4.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8291 4.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 4.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 5.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4789 5.8120 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 1 21 1 0 21 22 1 0 13 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 CH2OH M SBV 1 20 0.0000 -1.6977 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 22 M SMT 2 OCH3 M SBV 2 22 -0.8248 0.0000 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 1.7268 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(H2C)8HC=HC(H2C)7H3C M SBV 4 30 0.3886 0.0000 S SKP 5 ID LBG00-kk::18109SC01:R: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
