Mol:LBGAHG1N02
Copyright: ARM project http://www.metabolome.jp/
57 56 0 0 0 0 0 0 0 0999 V2000 -5.8822 -1.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 1.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4479 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 2.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9687 0.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4624 1.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8251 2.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1105 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6043 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4617 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6426 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2152 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6437 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0726 0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 2.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5014 0.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 -1.4596 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 -2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1749 -1.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 -0.6346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3499 -1.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3499 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3499 -3.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 -3.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 -2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 3.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 8 5 1 0 9 8 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 24 23 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 6 23 1 0 10 38 1 0 14 39 1 0 18 40 1 0 22 41 1 0 25 42 1 0 29 43 1 0 33 44 1 0 37 45 1 0 22 46 1 0 37 47 1 0 1 48 1 0 48 49 1 0 48 50 1 0 48 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 53 56 1 0 10 57 1 0
S SKP 6 AUTODRAW FALSE ID LBGAHG1N02 FORMULA C46H95O9P EXACTMASS 822.671371148 AVERAGEMASS 823.2148609999999 SMILES C(C)(C)CCCC(C)CCCC(C)CCCC(C)CCOC(COCCC(CCCC(C)CCCC(CCCC(C)C)C)(C)O)(COP(O)(=O)OCC(O)CO)[H] M END
