Mol:LBGPGccp:18000SC01:12000SC01:YS3HOe014:01
47 46 0 0 0 0 0 0 0 0999 V2000 1.7102 -6.1205 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 -5.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 -6.9455 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6516 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 -6.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6736 -5.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -3.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1253 -2.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 -2.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4436 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 0.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4599 1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7619 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 3.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9533 5.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 5.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2553 6.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9697 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 -4.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3014 -4.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 -5.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 -4.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 -4.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2872 -3.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -3.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 -0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 -0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 -0.6414 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 4 7 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 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 2 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 27 28 1 0 28 29 1 0 30 31 1 0 7 32 1 0 30 32 1 0 32 33 1 0 5 34 1 0 9 34 1 0 8 46 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 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 46 47 1 0
M CHG 1 3 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 M SAL 1 6 24 25 26 27 28 29 M SBL 1 1 47 M SMT 1 CH2OCO(CH2)7CH=CH(CH2)7CH3 M SBV 1 47 -4.3161 3.4906 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 29 M SMT 2 CH2OH M SBV 2 29 0.0000 -0.8250 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 32 33 M SBL 3 2 28 29 M SMT 3 CHOH M SBV 3 28 0.0000 -0.8248 M SBV 3 29 0.0000 0.8250 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 14 34 35 36 37 38 39 40 41 42 43 44 45 46 47 M SBL 4 3 31 32 33 M SMT 4 CH3CH(CH2)8COOH^C M SBV 4 31 0.0000 -1.4649 M SBV 4 32 0.0000 1.3485 M SBV 4 33 0.6278 -5.6641 S SKP 5 ID LBGPGccp:18000SC01:12000SC01:YS3HOe014:01 FORMULA C36H68O10P EXACTMASS 691.455009906 AVERAGEMASS 691.892881 SMILES C(CCCC(=O)OCC(OOC(=C)CCCCCCCC(C)C)COP([O-1])(=O)OCC(O)CO)CCCC=CCCCCCCCC M END
