Mol:LBG00kkk:R:YS1CA0002:18000SC01
(Redirected from Mol:LBG00kkk:R:YS1CA0002:18000SC01:01)
44 46 0 0 0 0 0 0 0 0999 V2000 1.4389 3.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 3.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 0.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3952 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 3.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 4.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 3.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 4.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 5.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 5.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 5.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 4.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 3.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 4.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 4.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 2.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 -0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 -1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 -2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -3.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 -3.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 -4.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 -4.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3264 -5.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1514 -5.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -5.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 3 5 1 0 4 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 8 15 1 0 9 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 9 20 1 0 10 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 10 25 1 0 2 27 1 0 26 27 1 0 5 28 1 0 6 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 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
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 27 M SMT 1 CH3^O M SBV 1 27 0.8250 -0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 M SAL 2 2 43 44 M SBL 2 2 29 30 M SMT 2 (CH2)17 M SBV 2 29 -0.8250 0.0000 M SBV 2 30 1.2966 0.0000 S SKP 5 ID LBG00kkk:R:YS1CA0002:18000SC01:01 FORMULA C41H60O3 EXACTMASS 600.454245786 AVERAGEMASS 600.9132999999999 SMILES C(CCCCCCCCCCCCCCCC)(C)OCC(COC(c(c3)cccc3)(c(c2)cccc2)c(c1)cccc1)OC M END
