Mol:LBGPxpkk:R:16114BC01:16114BC01
53 52 0 0 0 0 0 0 0 0999 V2000 -1.5897 1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1242 0.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3417 -0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6135 0.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1619 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3097 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1484 1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0327 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4555 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8751 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3199 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2572 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8615 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8866 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8866 1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 -0.7434 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 -0.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 -0.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 -0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 -1.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6285 -1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 1 3 6 1 1 8 9 1 0 10 11 1 0 12 13 1 0 14 15 1 0 15 16 1 0 8 16 1 0 8 17 1 0 17 18 1 0 18 19 1 0 10 19 1 0 10 20 1 0 20 21 1 0 21 22 1 0 12 22 1 0 12 23 2 0 7 23 1 0 6 7 1 0 14 24 1 0 24 25 1 0 24 26 1 0 28 29 1 0 30 31 1 0 32 33 1 0 34 35 1 0 35 36 1 0 28 36 1 0 28 37 1 0 37 38 1 0 38 39 1 0 30 39 1 0 30 40 1 0 40 41 1 0 41 42 1 0 32 42 1 0 32 43 2 0 27 43 1 0 34 44 1 0 44 45 1 0 44 46 1 0 1 27 1 0 48 49 1 0 48 50 2 0 49 51 1 0 1 2 1 0 3 2 1 0 3 5 1 0 47 48 1 0 5 47 1 0 48 52 1 0 52 53 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 51 M SMT 1 OCH3 M SBV 1 51 0.0000 0.8217 S SKP 5 ID LBGPxpkk:R:16114BC01:16114BC01:01 FORMULA C45H89O6P EXACTMASS 756.6396770900001 AVERAGEMASS 757.1583209999999 SMILES C(C(C)CCCC(=CCOC(COP(OC)(OC)=O)([H])COCC=C(CCCC(C)CCCC(CCCC(C)C)C)C)C)CCC(C)CCCC(C)C M END
