Mol:LBGAAI1N03
Copyright: ARM project http://www.metabolome.jp/
56 55 0 0 0 0 0 0 0 0999 V2000 -7.8035 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -0.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6313 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1562 -0.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5453 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9695 -0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1589 0.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3975 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0316 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8893 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0324 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9277 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6431 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3575 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0722 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7864 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3975 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7864 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8902 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5009 -0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6361 -0.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6509 -0.7769 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.6509 0.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6509 -1.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6759 -0.7860 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.6759 0.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6759 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5009 -0.7860 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 53 1 1 0
A 1 Ino S SKP 6 AUTODRAW FALSE ID LBGAAI1N03 FORMULA C44H92O9P2 EXACTMASS 826.6216575619999 AVERAGEMASS 827.143402 SMILES C(C)(CCOC([H])(COCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COP(OCP(O)(O)=O)(O)=O)CCCC(C)CCCC(CCCC(C)C)C M END
