Mol:LBGAAI1N03
Copyright: ARM project http://www.metabolome.jp/
57 56 0 0 0 0 0 0 0 0999 V2000 -7.3220 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1769 -0.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6749 -0.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 -0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 0.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2648 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5128 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3704 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7991 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5135 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6569 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4089 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2666 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9811 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6955 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4097 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1242 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8385 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5532 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2674 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7991 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6569 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4097 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2674 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9819 -0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1547 -0.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 -0.7769 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 0.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 -1.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1569 -0.7997 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -9.1569 0.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1569 -1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9819 -0.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2158 -0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 8 1 0 4 7 1 0 9 6 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 7 24 1 0 11 39 1 0 15 40 1 0 19 41 1 0 23 42 1 0 26 43 1 0 30 44 1 0 34 45 1 0 38 46 1 0 23 47 1 0 38 48 1 0 49 50 1 0 50 51 2 0 50 2 1 0 50 52 1 0 49 1 1 0 53 54 2 0 53 55 1 0 53 56 1 0 1 57 1 0 53 57 1 0
A 1 Ino S SKP 6 AUTODRAW FALSE ID LBGAAI1N03 FORMULA C44H92O10P2 EXACTMASS 842.6165721839999 AVERAGEMASS 843.1428020000001 SMILES C(C(COCCC(CCCC(C)CCCC(C)CCCC(C)C)C)([H])OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)OP(OCOP(O)(O)=O)(O)=O M END
