Mol:EEL0251
(Redirected from Mol:LBGADB0N03)
Copyright: ARM project http://www.metabolome.jp/
90 95 0 0 0 0 0 0 0 0999 V2000 -8.2249 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5630 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9014 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2394 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5777 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0418 -1.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 -1.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0564 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3947 -1.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5630 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0762 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0762 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7327 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7327 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 9.8415 -0.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2064 -0.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5428 2.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9773 1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5894 1.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4775 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8611 1.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8881 0.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8759 2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2139 2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5522 2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8904 2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2286 2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5203 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8585 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1967 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5349 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8732 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2307 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5835 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2138 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 -0.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3821 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 -0.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5674 1.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5667 2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7389 2.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8585 1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2930 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52 48 1 0 1 43 1 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 22 5 1 0 6 25 1 0 7 6 1 0 8 7 1 0 9 8 1 0 50 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 19 14 1 0 28 17 1 0 41 10 1 0 50 35 1 0 2 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 16 20 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 21 25 1 0 6 26 1 0 11 27 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 33 1 0 33 32 1 0 32 28 1 0 34 33 1 0 35 34 1 0 33 36 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 85 1 0 39 42 1 0 39 41 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 49 1 0 46 48 1 0 43 47 1 0 50 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 78 56 1 0 89 81 1 0 57 89 1 0 86 57 1 0 58 86 1 0 87 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 75 63 1 0 64 73 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 85 59 1 0 87 70 1 0 53 71 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 72 76 1 0 77 78 1 0 78 79 1 0 79 80 1 0 80 81 1 0 77 81 1 0 68 82 1 0 64 83 1 0 60 84 1 0 87 88 1 0 89 90 1 0
S SKP 6 AUTODRAW FALSE ID EEL0251 FORMULA C82H154O6 EXACTMASS 1235.17454266 AVERAGEMASS 1236.09656 SMILES C(C51)CCC(C)(CCC(CCCC(C)C(C2)CCC(CCCC(COCC(OCC(C)CCCC(C3)CCC3C(C)CCCC(CCC(C)CCCC(C(C4)CC(CCCC(COCC([H])(CO)OCC(C)CCCC(C6)CC5C6)C)C4)C)C)([H])CO)C)2)C)C1 M END
