Mol:LBGDGcc-:18109SC01:18206SC05 2
46 45 0 0 0 0 0 0 0 0999 V2000 -6.9510 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4117 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4117 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4117 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4117 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4117 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8401 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0942 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8085 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2368 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9510 0.0001 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 4 7 1 0 6 8 1 0 2 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 9 18 2 0 7 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 26 27 1 0 19 28 2 0 17 29 2 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 27 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0
S SKP 5 ID LBGDGcc-:18109SC01:18206SC05::02 FORMULA C41H74O5 EXACTMASS 646.553625478 AVERAGEMASS 647.0232599999999 SMILES C(CCC=CCCCCCCCC(=O)OCCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CCO)CCCCC M END
