Mol:LBGPIccp:16000SC01:18000SC01:p 2
57 57 0 0 0 0 0 0 0 0999 V2000 1.5951 6.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9094 5.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 5.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9094 4.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 4.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9562 5.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 5.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 4.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9562 5.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 4.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9094 5.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 6.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9094 6.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 6.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 6.2843 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 7.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 5.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 3.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8807 3.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4682 3.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8807 2.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 3.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0066 1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0066 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6564 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6564 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4814 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4814 -1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3063 -1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3063 -2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1312 -2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1312 -3.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9562 -3.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 2.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 1.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4846 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4682 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 -1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5481 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 -2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 -2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 -3.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -3.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 -4.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -4.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 -5.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 -5.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3434 -6.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0579 -7.1093 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 1 1 0 14 15 1 0 15 16 2 0 15 17 1 0 15 13 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 2.8031 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:02 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
