Mol:LBG00-kk::16000BC12:16114BC01
46 45 0 0 0 0 0 0 0 0999 V2000 -5.8200 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 1.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2527 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5344 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2527 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5344 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5344 -1.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 5 4 1 0 3 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 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 6 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 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 23 37 1 0 27 38 1 0 35 39 1 0 31 40 1 0 8 41 1 0 12 42 1 0 16 43 1 0 20 44 1 0 1 45 1 0 45 46 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 45 46 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 0.0000 0.8250 S SKP 5 ID LBG00-kk::16000BC12:16114BC01:01 FORMULA C43H86O3 EXACTMASS 650.657696618 AVERAGEMASS 651.14114 SMILES C(C(COCC=C(CCCC(CCCC(C)CCCC(C)C)C)C)OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)O M END
