Mol:EEL3031
Copyright: ARM project http://www.metabolome.jp/
99 99 0 0 0 0 0 0 0 0 3 V2000 29.2872 -4.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1122 -4.3061 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 30.1122 -3.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9372 -4.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1122 -5.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 -8.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 -7.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -6.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7586 -5.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 -5.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 -7.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 -6.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9516 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6658 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3802 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0946 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6667 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3809 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0954 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8096 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5241 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2385 -4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9530 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8478 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5623 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2765 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9908 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7052 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4196 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1339 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5629 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2773 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9917 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7058 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4203 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1348 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8492 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6658 -3.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -3.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3809 -3.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2765 -5.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1339 -5.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9917 -5.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8492 -5.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4166 -4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9979 -5.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4668 -5.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0480 -6.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2118 -4.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2410 -5.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9884 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2739 -6.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5597 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8453 -6.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1309 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4165 -6.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7021 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9877 -6.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2733 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5588 -6.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8446 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1301 -6.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4158 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7014 -6.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9870 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4616 -7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3777 -5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6632 -4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9490 -5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2347 -4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5203 -5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8059 -4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0915 -5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3771 -4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6626 -5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9482 -4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2338 -5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5196 -4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8052 -5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0907 -4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3762 -5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5597 -7.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7021 -7.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8446 -7.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9870 -7.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9490 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0915 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2338 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3762 -5.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6674 -4.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1760 -6.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2385 -3.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7622 -4.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 12 1 0 0 0 0 8 11 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 11 29 1 0 0 0 0 15 44 1 0 0 0 0 19 45 1 0 0 0 0 23 46 1 0 0 0 0 31 47 1 0 0 0 0 35 48 1 0 0 0 0 39 49 1 0 0 0 0 43 50 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 52 56 1 0 0 0 0 52 55 1 0 0 0 0 57 54 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 67 1 0 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 0 0 0 0 82 81 1 0 0 0 0 83 82 1 0 0 0 0 84 83 1 0 0 0 0 85 84 1 0 0 0 0 86 85 1 0 0 0 0 87 86 1 0 0 0 0 55 73 1 0 0 0 0 59 88 1 0 0 0 0 63 89 1 0 0 0 0 67 90 1 0 0 0 0 71 91 1 0 0 0 0 75 92 1 0 0 0 0 79 93 1 0 0 0 0 83 94 1 0 0 0 0 87 95 1 0 0 0 0 43 72 1 0 0 0 0 28 96 1 0 0 0 0 72 97 1 0 0 0 0 87 96 1 0 0 0 0 71 97 1 0 0 0 0 51 1 1 0 0 0 0 27 98 1 0 0 0 0 4 99 1 0 0 0 0
A 99 Ino S SKP 6 AUTODRAW FALSE ID EEL3031 FORMULA C87H175O9P EXACTMASS 1395.2973737080001 AVERAGEMASS 1396.288761 SMILES CC(C1)CCCC(C)CCOC([H])(COP(O)(=O)OC)COCCC(C)CCCC(C)CCCC(CCCC(CCC(CCCC(CCCC(CCCC(C)CCOC(COCCC(CCCC(CCCC(C)CCCC(CCC(C)CCCC(C)CC1)C)C)C)([H])CO)C)C)C)C)C M END
