Mol:LBG00kkk:R:18109SC01:R
46 48 0 0 0 0 0 0 0 0999 V2000 -3.2997 1.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 -1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 -0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 -2.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 -3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -3.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -2.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 1.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8249 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8249 -2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 -2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 -2.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -2.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -3.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -3.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -4.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1246 -4.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1246 -5.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 -5.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 -1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 3.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 3.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 4.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9496 4.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9496 5.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 4 2 1 0 5 2 1 0 3 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 3 10 1 0 5 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 5 15 1 0 4 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 4 20 1 0 1 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 29 30 1 0 30 31 2 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 1 40 1 0 2 41 1 0 40 41 1 0 1 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 M SAL 1 4 36 37 38 39 M SBL 1 1 22 M SMT 1 O(CH2)8CH=CH(CH2)7CH3 M SBV 1 22 -0.8248 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 2 41 42 M SMT 2 CH2O M SBV 2 41 0.0000 3.1231 M SBV 2 42 2.6056 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 5 42 43 44 45 46 M SBL 3 1 44 M SMT 3 CH2OCH2CH=CH2 M SBV 3 44 0.0000 -1.8432 S SKP 5 ID LBG00kkk:R:18109SC01:R:01 FORMULA C43H60O3 EXACTMASS 624.454245786 AVERAGEMASS 624.9347 SMILES C(c(c3)cccc3)(c(c2)cccc2)(c(c1)cccc1)OCC(OCCCCCCCCC=CCCCCCCCC)COCC=C M END
