Mol:LBGPIpkk:p:20000BC02:20000BC02 2
85 86 0 0 0 0 0 0 0 0999 V2000 -4.5589 0.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 0.4187 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.5601 0.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5575 1.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 1.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 3.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4062 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7419 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3256 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9096 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4935 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0774 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2451 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8291 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4130 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9969 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5808 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1646 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7485 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4935 3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8291 3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1646 3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5159 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2675 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8515 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4354 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0192 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6031 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7709 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9386 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5226 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1065 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4354 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7709 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1065 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6904 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5008 2.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6914 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5008 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4005 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 2.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6914 1.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4005 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -1.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5008 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 2.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5133 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5580 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7485 -2.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5580 -3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6961 -3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4576 -2.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6961 -1.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7485 -3.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4576 -3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6961 -3.9096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5580 -2.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6328 -3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5580 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7330 -0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 5 1 0 2 6 2 0 7 4 1 0 7 8 1 0 8 9 1 0 7 10 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 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 11 30 1 0 12 31 1 0 16 32 1 0 20 33 1 0 24 34 1 0 28 35 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 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 36 54 1 0 37 55 1 0 41 56 1 0 45 57 1 0 49 58 1 0 53 59 1 0 60 53 1 0 10 54 1 0 9 30 1 0 61 62 1 0 62 63 1 1 63 64 1 1 65 64 1 1 65 66 1 0 61 66 1 0 62 67 1 0 65 68 1 0 64 69 1 0 63 70 1 0 66 71 1 0 61 72 1 0 73 74 1 0 74 75 1 1 75 76 1 1 77 76 1 1 77 78 1 0 73 78 1 0 74 79 1 0 77 80 1 0 76 81 1 0 75 82 1 0 83 80 1 0 83 69 1 0 1 68 1 0 73 84 1 0 84 85 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 84 85 M SBL 1 1 85 M SMT 1 CH2OH M SBV 1 85 0.0000 -0.7606 S SKP 5 ID LBGPIpkk:ppppppppp:20000BC02:20000BC02:02 FORMULA C68H135O16P EXACTMASS 1238.948774782 AVERAGEMASS 1239.763661 SMILES CC(CCCC(C)C)CCCC(C)CCCC(CCCC(C)CCOC(COCCC(CCCC(CCCC(C)CCCC(C)CCCC(C)C)C)C)COP(OCC(C2O)C(C(C(O)C2O)O)OCCC(O1)C(C(C(C1CO)O)O)O)(O)=O)C M END
