Mol:EEL1040
Copyright: ARM project http://www.metabolome.jp/
111120 0 0 0 0 0 0 0 0999 V2000
3.9865 -1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 -1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1289 -1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 2.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2386 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5243 2.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 2.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9863 -0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 -0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 3.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 0.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1157 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1157 1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7692 -1.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7692 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -2.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1981 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1981 -1.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8431 1.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 2.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4143 1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 2.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9855 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8071 -1.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0931 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 -1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 -1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9496 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8064 -2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 -2.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 -0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2556 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9705 -0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 2.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6265 3.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3404 3.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0554 3.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0549 2.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2714 2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 -1.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 1.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8356 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8356 -0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 -0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2644 -0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2644 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9789 -0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6932 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1079 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1079 0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3941 1.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6789 0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6789 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8226 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5366 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9336 -2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9336 -3.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6473 -4.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 -3.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 -2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3246 -4.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7529 -1.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0951 -2.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2629 -3.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 -0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2680 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9678 0.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2377 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9778 -3.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2452 3.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2452 4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5314 4.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8162 4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8162 3.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9600 4.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8488 4.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6966 1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0384 3.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2058 4.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4828 1.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2680 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1812 2.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8723 -3.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 -3.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5834 -2.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8723 -4.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 -2.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5834 -2.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5672 -3.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7159 -2.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5868 -4.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5672 -4.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8723 -3.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7157 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5701 -3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7452 -3.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7452 -3.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7452 -4.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 -3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7579 -3.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 1 11 1 0 5 12 1 0 6 13 1 0 10 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 15 19 1 0 6 15 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 24 1 0 1 20 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 25 35 1 0 29 36 1 0 30 37 1 0 34 38 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 39 43 1 0 30 39 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 44 48 1 0 25 44 1 0 29 49 1 0 34 50 1 0 10 51 1 0 5 52 1 0 50 52 1 0 49 51 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 53 57 1 0 18 53 1 0 56 58 1 0 58 59 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 60 64 1 0 42 64 1 0 61 65 1 0 65 66 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 23 67 1 0 70 72 1 0 73 74 1 0 74 75 1 0 73 76 1 0 73 77 1 0 77 78 1 0 73 79 1 0 59 76 1 0 72 80 1 0 75 80 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 81 85 1 0 47 85 1 0 82 86 1 0 86 87 1 0 88 89 1 0 89 90 1 0 88 91 1 0 88 92 1 0 88 93 1 0 91 66 1 0 90 87 1 0
100 94 1 1
99 94 1 1 98100 1 1 98 95 1 0 99 96 1 0 94 97 1 0
101 98 1 0
99101 1 0 97102 1 0
100103 1 0
94104 1 0
101105 1 0
96 92 1 0
106107 1 0 107108 2 0 107109 2 0 107110 1 0 111106 1 0
95111 1 0
A 111 Gl^c S SKP 6 AUTODRAW FALSE ID EEL1040 FORMULA C93H168O15S EXACTMASS 1557.210395396 AVERAGEMASS 1558.3860200000001 SMILES C(C([H])(C%10)OCCC(C1)CC(C(C2)CCC2C(C)CCCC(CCC(CCCC(C)C(C3)CCC3C(C4)CCC4CCOCC(OCCC(C6)CCC6C(C7)CCC7C(C)CCCC(CCC(CCCC(C(C8)CCC(C(C9)CCC(CCO%10)9)8)C)C)C)([H])COC(C(O)(CO)5)C(O)C(C5O)OCOS(O)(=O)=O)C)C)C1)O M END
