Mol:EEL0180
Copyright: ARM project http://www.metabolome.jp/
96100 0 0 0 0 0 0 0 0999 V2000 13.0515 -0.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5231 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3760 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 -3.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2951 0.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 -2.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8189 -3.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1045 -2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6755 -2.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 -3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5787 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4608 0.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1120 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3977 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6832 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9689 0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1044 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0075 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1119 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 2.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 2.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7561 0.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4218 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 -3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 -1.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0515 -0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3379 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1916 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4091 3.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9647 0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2691 2.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6352 3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9206 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2064 3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4915 2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7775 3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2745 -0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6405 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9257 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2116 -0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4968 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7828 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7868 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0728 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9198 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9250 -1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 -2.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -2.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5700 -2.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5215 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9505 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6059 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3204 3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0354 2.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0349 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0110 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4018 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7450 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6829 -2.0141 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
A 95 Glc A 96 Glc S SKP 6 AUTODRAW FALSE ID EEL0180 FORMULA C88H168O6 EXACTMASS 1321.284093108 AVERAGEMASS 1322.2719200000001 SMILES C(C5)C(C)CCOCC(COCC)([H])OCCC(C)CCCC(C1)CCC1C(C)CCCC(CCC(CCCC(C(C2)CCC2CCCC(CCOCC([H])(OCCC(CCCC(C3)CC(C(C)CCCC(C)CCC(CCCC(C)C(C4)CCC4C5)C)C3)C)CO)C)C)C)C M END
