Mol:LBGPCccp:11000SC01:11000SC01:YB2PHb001 2
40 39 0 0 0 0 0 0 0 0999 V2000 2.6309 -4.2239 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6309 -3.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6309 -5.0489 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5723 -4.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 -4.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 -2.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -4.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 -1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 -1.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 -0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -0.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7766 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 1.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0785 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 2.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 3.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 3.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6824 4.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 5.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1104 -2.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1104 -1.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -2.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5076 -0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -0.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6345 -0.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -4.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -3.3990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6345 -4.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6345 -2.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 -2.2721 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 5 7 1 0 1 7 1 0 6 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 6 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 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 4 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 8 9 10 11 12 13 14 15 16 17 18 19 20 21 M SBL 1 1 7 M SMT 1 CH2OCO(CH2)9CH3 M SBV 1 7 0.0000 -1.3485 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 13 22 23 24 25 26 27 28 29 30 31 32 33 34 M SBL 2 1 21 M SMT 2 ^OOC(H2C)9H3C M SBV 2 21 0.8248 -0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 35 36 37 38 39 40 M SBL 3 1 34 M SMT 3 CH2CH2N(CH3)3 M SBV 3 34 -0.8248 0.0000 S SKP 5 ID LBGPCccp:11000SC01:11000SC01:YB2PHb001:02 FORMULA C30H59NO8P EXACTMASS 592.397829379 AVERAGEMASS 592.7651609999999 SMILES C(CCCCCC(=C)OOC(COC(=O)CCCCCCCCCC)COP([O-1])(=O)OCCN(C)CC)CCC M END
