Mol:LBGPGccp:18000SC01:16000SC01:YS3HOe014:01
51 51 0 0 0 0 0 0 0 0999 V2000 2.9476 -6.1205 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 -5.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 -6.9455 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8890 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 -4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -4.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9502 -3.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 -3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4786 -3.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 -0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7138 1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7138 2.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5388 2.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 -5.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4282 -4.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 -4.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 -4.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 -3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 -3.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 -2.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 -2.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3954 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6973 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2849 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9993 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 3.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6032 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 5.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4927 6.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 1 6 1 0 4 7 1 0 5 8 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 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 7 27 1 0 27 29 1 0 27 28 1 0 29 30 1 0 8 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 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 2 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
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 M SAL 1 4 23 24 25 26 M SBL 1 2 7 8 M SMT 1 CH3(CH2)14COOH^C M SBV 1 7 0.0000 -1.4649 M SBV 1 8 0.0000 -1.4649 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 2 27 28 M SMT 2 CHOH M SBV 2 27 0.0000 -0.8248 M SBV 2 28 0.0000 -0.8248 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 29 30 M SBL 3 1 28 M SMT 3 CH2OH M SBV 3 28 0.0000 -0.8250 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 15 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 M SAL 4 6 46 47 48 49 50 51 M SBL 4 1 31 M SMT 4 CH2OCO(CH2)7CH=CH(CH2)7CH3 M SBV 4 31 0.0000 -1.3485 S SKP 5 ID LBGPGccp:18000SC01:16000SC01:YS3HOe014:01 FORMULA C40H74O10P EXACTMASS 745.501960098 AVERAGEMASS 745.983321 SMILES error. Edge duplication. M END
