Mol:LBGPIccp:16000SC01:18000SC01:p
57 57 0 0 0 0 0 0 0 0999 V2000 4.2756 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 5.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0211 4.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 4.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 4.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 4.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 5.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0211 4.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 5.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 3.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 4.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 6.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 6.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 5.5582 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 5.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 6.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 4.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 4.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5612 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 3.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5612 3.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 3.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 2.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 2.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 -1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 -1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 -1.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -1.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2756 -2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 2.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 2.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 1.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 1.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7363 1.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 0.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 0.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1324 -0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 -1.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 -1.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -2.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 -3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -3.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2266 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -4.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -5.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3371 -5.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 -6.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 1 4 5 1 1 6 5 1 1 6 7 1 0 2 7 1 0 3 8 1 0 6 9 1 0 5 10 1 0 4 11 1 0 7 12 1 0 2 13 1 0 14 9 1 0 14 15 1 0 14 16 2 0 14 17 1 0 1 15 1 0 1 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 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 1 0 18 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 M SAL 1 6 33 34 35 36 37 38 M SBL 1 2 18 39 M SMT 1 CHOCO(CH2)7CH=CH(CH2)7CH3 M SBV 1 18 0.0000 1.3485 M SBV 1 39 0.0000 -1.4649 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 M SAL 2 4 54 55 56 57 M SBL 2 1 39 M SMT 2 CH2OCO(CH2)14CH3 M SBV 2 39 0.0000 1.4649 S SKP 5 ID LBGPIccp:16000SC01:18000SC01:ppppppppp:01 FORMULA C43H81O13P EXACTMASS 836.541479188 AVERAGEMASS 837.069201 SMILES C(C(=O)OC(COP(O)(=O)OC(C1O)C(C(C(C1O)O)O)O)COC(CCCCCCCCCCCCCCC)=O)CCCCCCC=CCCCCCCCC M END
