Mol:EEL1052
Copyright: ARM project http://www.metabolome.jp/
100104 0 0 0 0 0 0 0 0999 V2000
13.0024 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3867 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2396 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4565 -3.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1586 0.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -2.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6824 -3.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 -2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2536 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5390 -2.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8247 -3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3243 0.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9755 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9679 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8711 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9754 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8374 2.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 2.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5715 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5715 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0005 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0005 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3678 -3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0596 -1.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0024 0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4744 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3281 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5456 3.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2456 -0.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4056 2.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7717 3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0570 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3428 3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6279 2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9139 3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5304 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4110 -0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7770 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0621 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3480 -0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6332 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9192 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4945 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0562 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9586 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0614 -1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9226 -2.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0648 -2.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7065 -0.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6575 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3721 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0865 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7424 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4569 3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1719 2.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1714 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1475 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2989 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2940 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0917 2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2769 2.1542 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2769 2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2769 1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4519 2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6269 2.1542 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 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 34 38 1 0 23 34 1 0 22 37 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 39 43 1 0 11 42 1 0 12 39 1 0 2 44 1 0 45 46 1 0 46 47 1 0 47 48 1 0 46 49 1 0 50 48 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 49 61 1 0 52 72 1 0 56 73 1 0 60 74 1 0 63 75 1 0 67 76 1 0 71 77 1 0 45 78 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 67 79 1 0 66 82 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 55 87 1 0 56 84 1 0 46 89 1 0 60 90 1 0 71 91 1 0 27 92 1 0 16 93 1 0 91 93 1 0 90 92 1 0 78 94 1 0 95 96 1 0 96 97 2 0 96 98 1 0 96 99 1 0 99100 1 0 95 1 1 0
A 94 Glc A 100 Ino S SKP 6 AUTODRAW FALSE ID EEL1052 FORMULA C88H169O9P EXACTMASS 1401.250423516 AVERAGEMASS 1402.251821 SMILES C(OP(O)(=O)OC)C(O3)(COCCC(C)CCCC(C5)CC(C5)C(CCCC(CCC(C)CCCC(C(C4)CC(C4)CCCC(C)CCOC(COC)(COCCC(CCCC(C1)CCC(C(CCCC(CCC(CCCC(C(C2)CCC2CCCC(CC3)C)C)C)C)C)1)C)[H])C)C)C)[H] M END
