Mol:EEL1009
Copyright: ARM project http://www.metabolome.jp/
101102 0 0 0 0 0 0 0 0999 V2000
-15.0355 -1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3594 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4580 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3877 1.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4614 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4446 -0.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2479 1.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6137 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8995 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1851 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4705 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7561 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0417 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3273 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6127 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8984 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1841 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7555 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4210 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7868 -1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0724 -1.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3580 -1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6435 -1.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9292 -1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1509 -1.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4367 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7223 -1.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2934 -1.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8995 0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0417 0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1841 0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0724 -2.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1509 -2.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2934 -2.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 -1.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5102 -2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7206 -2.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1862 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5753 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9162 -1.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9996 0.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 -0.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7765 -1.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1422 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 -1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7136 -1.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9989 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2846 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5701 -1.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -1.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1412 -1.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7126 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9983 -1.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 -1.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -1.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1654 0.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5312 0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1024 0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3878 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6736 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 2.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 1.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 2.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4278 -0.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5699 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1453 -0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 1.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 2.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 2.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 -1.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5707 0.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1284 -2.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1284 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9156 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1264 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4214 -1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6458 -1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3855 0.6742 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3855 -0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3855 1.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2105 0.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0355 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6048 -2.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7011 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 6 1 0 2 5 1 0 7 4 1 0 8 7 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 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 5 22 1 0 9 33 1 0 13 34 1 0 17 35 1 0 21 36 1 0 24 37 1 0 28 38 1 0 32 39 1 0 21 40 1 0 32 41 1 0 1 42 1 0 42 43 1 0 44 45 1 0 45 46 1 0 44 48 1 0 44 47 1 0 49 46 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 71 70 1 0 72 71 1 0 73 72 1 0 74 73 1 0 47 64 1 0 51 75 1 0 55 76 1 0 59 77 1 0 63 78 1 0 66 79 1 0 70 80 1 0 74 81 1 0 63 82 1 0 74 83 1 0 40 83 1 0 41 82 1 0 85 86 1 0 27 86 1 0 28 87 1 0 88 89 1 0 89 90 1 0 90 91 1 0 91 92 1 0 88 92 1 0 70 88 1 0 69 91 1 0 86 93 1 0 87 94 1 0 94 93 1 0 84 95 1 0 95 96 2 0 95 97 1 0 95 98 1 0 98 99 1 0 43100 1 0 44101 1 0
101 84 1 0 A 43 Gal A 99 Ino A 100 Glc S SKP 6 AUTODRAW FALSE ID EEL1009 FORMULA C89H177O9P EXACTMASS 1421.313023772 AVERAGEMASS 1422.3260409999998 SMILES CC(C1)CCCC(CCCC(CCCC(CCOC(COCC)([H])COCCC(CCCC(C)CCCC(CCCC(C)CCC(C)CCCC(C(C2)CC(C2)CCCC(CCOC([H])(COCCC(CCCC(CCCC(C)CCCC(C1)C)C)C)COP(O)(=O)OC)C)C)C)C)C)C)C M END
