Mol:EEL1046
Copyright: ARM project http://www.metabolome.jp/
97100 0 0 0 0 0 0 0 0999 V2000 -13.0747 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3399 0.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7288 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0694 2.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1532 0.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3426 1.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9297 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2954 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5811 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8666 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1521 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4378 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7233 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2944 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1513 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3191 -0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6847 -0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9702 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2559 -0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5415 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8272 -0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8325 -1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4037 -1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 -1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5811 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7233 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9702 -1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8325 -2.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 -2.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 2.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2603 -1.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6557 -2.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0747 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5463 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3992 -2.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6162 -2.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3184 0.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4764 -2.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8422 -3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 -2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4134 -3.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6989 -2.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 -3.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0313 -1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3169 -1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 -1.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8879 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 -1.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4841 0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8498 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1353 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7066 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9976 2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 2.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 2.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1277 -1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 -0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1351 1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 3.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1398 3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4591 -1.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4254 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7793 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0262 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0262 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3125 -0.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5973 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5973 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1604 0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1604 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -2.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5276 -3.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2429 -2.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2429 -1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2194 -1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8307 -2.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7686 -2.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7065 -2.4368 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 43 44 1 0 44 45 1 0 45 46 1 0 44 47 1 0 48 46 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 47 59 1 0 50 70 1 0 54 71 1 0 58 72 1 0 61 73 1 0 65 74 1 0 69 75 1 0 58 76 1 0 69 77 1 0 43 78 1 0 40 77 1 0 41 76 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 27 80 1 0 28 83 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 65 84 1 0 64 87 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 89 93 1 0 53 92 1 0 54 89 1 0 44 94 1 0 42 95 1 0 95 96 1 0 96 97 1 0
A 95 Glc A 96 Glc A 97 Glc S SKP 6 AUTODRAW FALSE ID EEL1046 FORMULA C89H172O6 EXACTMASS 1337.315393236 AVERAGEMASS 1338.3143799999998 SMILES CCCOCC(C3)([H])OCCC(CCCC(C1)CC(C(CCCC(C)CCC(C)CCCC(C)C(C4)CC(C4)CCCC(C)CCOCC(OCCC(C)CCCC(C2)CCC2C(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCO3)([H])CO)C)C1)C M END
