Mol:LBGPxccp:18000SC01:16000SC01:OPP--0002:01
46 45 0 0 0 0 0 0 0 0999 V2000 3.1134 -6.2659 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 -5.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 -7.0909 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0548 -6.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -6.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -3.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9573 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5612 0.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8632 1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 3.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4671 3.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0546 4.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 4.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 5.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 5.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 6.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3729 7.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 -4.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -3.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 -3.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3128 -3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 -1.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -1.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3729 2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 1 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 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 17 18 1 0 18 19 2 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 5 28 1 0 7 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 44 45 1 0 45 46 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 M SAL 1 6 22 23 24 25 26 27 M SBL 1 1 46 M SMT 1 CH2OCO(CH2)7CH=CH(CH2)7CH3 M SBV 1 46 0.0000 -1.6394 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 4 43 44 45 46 M SBL 2 2 26 27 M SMT 2 CH3(CH2)14COOH^C M SBV 2 26 0.0000 -1.4649 M SBV 2 27 0.0000 1.6394 S SKP 5 ID LBGPxccp:18000SC01:16000SC01:OPP--0002:01 FORMULA C37H70O8P EXACTMASS 673.480830726 AVERAGEMASS 673.9206609999999 SMILES C(OOC(=C)CCCCCCCCCCCCCC)(COC(CCCCCCCC=CCCCCCCCC)=O)COP([O-1])(O)=O M END
