Mol:EEL1047
Copyright: ARM project http://www.metabolome.jp/
97101 0 0 0 0 0 0 0 0999 V2000 13.1128 -0.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5845 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4374 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6545 -3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3566 0.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5147 -2.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8804 -3.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1660 -2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4516 -3.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 -2.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0228 -3.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0694 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6404 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9261 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5223 0.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8880 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1735 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7447 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0305 0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3214 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1659 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0692 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1734 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 2.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8174 0.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7697 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7697 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4835 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1987 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1987 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 -2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2576 -1.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1128 -0.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2756 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1293 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3468 3.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9024 0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2068 2.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5729 3.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8584 2.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1442 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4294 2.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7154 3.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7608 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2122 -0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5782 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8635 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1494 -0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4347 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7207 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7248 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2961 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8671 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8576 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9023 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8628 -1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7241 -2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8664 -2.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5077 -2.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1735 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8884 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8879 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5438 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5443 2.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2583 3.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9733 2.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9728 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9487 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1889 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4637 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6827 -2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6206 -2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5585 -2.3234 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 5 1 0 6 4 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 5 17 1 0 8 28 1 0 12 29 1 0 16 30 1 0 19 31 1 0 23 32 1 0 27 33 1 0 1 34 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 35 39 1 0 23 35 1 0 22 38 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 40 44 1 0 11 43 1 0 12 40 1 0 2 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 50 1 0 51 49 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 69 68 1 0 70 69 1 0 71 70 1 0 72 71 1 0 50 62 1 0 53 73 1 0 57 74 1 0 61 75 1 0 64 76 1 0 68 77 1 0 72 78 1 0 46 79 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 68 80 1 0 67 83 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 85 89 1 0 56 88 1 0 57 85 1 0 47 90 1 0 61 91 1 0 72 92 1 0 27 93 1 0 16 94 1 0 92 94 1 0 91 93 1 0 79 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 EEL1047 FORMULA C89H170O6 EXACTMASS 1335.299743172 AVERAGEMASS 1336.2984999999999 SMILES C(C(C)4)CC(CCCC(C)C(C1)CC(CCCC(CCOCC(OCCC(CCCC(C2)CCC2C(C)CCCC(C)CCC(CCCC(C(C5)CC(C5)CCCC(C)CCOCC(OCCC(C)CCCC(C3)CCC(C(CCC4)C)3)([H])COCCC)C)C)C)([H])CO)C)C1)C M END
