Mol:EEL1039
Copyright: ARM project http://www.metabolome.jp/
111119 0 0 0 0 0 0 0 0999 V2000
4.0000 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2856 -1.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 -0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9663 2.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 2.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 2.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1087 2.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 0.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9661 3.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1086 3.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7001 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7001 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4139 1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -1.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 -2.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2115 -1.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2115 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2755 3.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6417 4.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9271 3.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2130 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4983 3.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7843 4.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 2.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1158 2.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 2.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9722 2.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0799 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 -1.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 -0.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9363 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9263 2.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8292 1.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9715 1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7932 -1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9356 -1.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 -0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5284 0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2425 0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9574 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9569 -0.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6128 2.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 3.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3273 4.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0423 3.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0418 2.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 2.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4279 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5628 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2779 0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2779 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9924 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7067 0.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0948 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0948 1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3810 1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6658 1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6658 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8095 1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5236 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7460 2.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1360 3.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4775 3.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5593 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2816 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2461 2.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 -2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 -3.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6608 -3.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3759 -3.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3759 -2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3381 -3.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7665 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1438 -1.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2765 -2.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5525 -0.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2816 0.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9814 0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2513 -1.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0799 -2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8109 -2.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7896 -3.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5220 -1.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8109 -3.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7896 -2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5220 -2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5056 -2.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6545 -1.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5254 -4.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5056 -3.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8109 -2.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6543 -0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -3.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 -3.2422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 -2.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 -4.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9201 -3.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7578 -3.2366 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 30 29 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 27 41 1 0 31 42 1 0 35 43 1 0 36 44 1 0 40 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 46 50 1 0 36 46 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 51 55 1 0 30 54 1 0 31 51 1 0 35 56 1 0 40 57 1 0 10 58 1 0 5 59 1 0 57 59 1 0 56 58 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 60 64 1 0 18 60 1 0 63 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 49 71 1 0 68 72 1 0 72 73 1 0 74 75 1 0 75 76 1 0 74 77 1 0 74 78 1 0 74 79 1 0 25 76 1 0 77 73 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 23 80 1 0 83 85 1 0 86 87 1 0 87 88 1 0 86 89 1 0 86 90 1 0 90 91 1 0 86 92 1 0 66 89 1 0 85 93 1 0 88 93 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 78 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 EEL1039 FORMULA C93H170O15S EXACTMASS 1559.22604546 AVERAGEMASS 1560.4019 SMILES C(C96)CC(C9)C(C1)CC(C(CCCC(CCC(C)CCCC(C(C2)CC(C(C3)CCC3CCOCC([H])(CO)OCCC(C4)CCC4C(C5)CC(C(C)CCCC(CCC(C)CCCC(C)C(C8)CC(C8)CCCC(CCOCC([H])(COC(C(O)(CO)7)C(O)C(OCOS(O)(=O)=O)C(O)7)OCC6)C)C)C5)C2)C)C)C)C1 M END
