Mol:LBGPxccp:18000SC01:14000SC01:OPP--0002:01
44 44 0 0 0 0 0 0 0 0999 V2000 2.7010 -6.2659 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -5.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -7.0909 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6424 -6.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 -6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 -6.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 -4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 -4.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 -3.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -3.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8358 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8358 -1.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 -1.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3106 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3106 0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1355 0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1355 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 -3.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1324 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 0.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7363 1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 3.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0546 3.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6421 4.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 4.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 5.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 5.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 6.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9604 7.0909 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 5 7 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 7 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 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 2 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
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 2 22 23 M SBL 1 2 6 7 M SMT 1 CH3(CH2)12COOH^C M SBV 1 6 0.0000 -1.4649 M SBV 1 7 0.0000 -1.4649 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 M SAL 2 6 39 40 41 42 43 44 M SBL 2 1 24 M SMT 2 CH2OCO(CH2)7CH=CH(CH2)7CH3 M SBV 2 24 0.0000 -1.6394 S SKP 5 ID LBGPxccp:18000SC01:14000SC01:OPP--0002:01 FORMULA C35H64O8P EXACTMASS 643.433880534 AVERAGEMASS 643.8516209999999 SMILES error. Edge duplication. M END
