Mol:LBGDGcc-:16000SC01:16000SC01 2
42 41 0 0 0 0 0 0 0 0999 V2000 -6.1441 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3191 1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1441 0.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1441 -0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1441 -0.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1441 -1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3555 0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5685 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7119 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2835 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5685 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6049 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1766 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7482 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6049 0.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8226 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1449 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3191 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0015 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6812 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3954 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1095 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4299 -0.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 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 8 16 2 0 2 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 17 25 2 0 24 26 1 0 26 27 1 0 15 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 4 7 1 0 6 32 1 0 29 33 1 0 33 34 1 0 7 8 1 0 34 35 1 0 35 36 1 0 31 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 36 41 1 0 41 42 1 0
S SKP 5 ID LBGDGcc-:16000SC01:16000SC01::02 FORMULA C37H72O5 EXACTMASS 596.5379754139999 AVERAGEMASS 596.96458 SMILES C(CCCCCCCCCC)CCCCC(OC(CCO)CCOC(=O)CCCCCCCCCCCCCCC)=O M END
