Mol:EEL1024
Copyright: ARM project http://www.metabolome.jp/
106115 0 0 0 0 0 0 0 0999 V2000
3.9586 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 -2.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 -1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9249 2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7818 1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0674 2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 2.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 2.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3726 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0878 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0878 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 -2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1702 -2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1702 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8712 1.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1571 2.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 2.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0135 1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8352 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 -1.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6922 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8705 0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0128 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 -2.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5692 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2838 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9987 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9982 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 2.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6546 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3686 3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0836 2.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0831 2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8077 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8077 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5215 -0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2366 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2366 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9511 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6654 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1361 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1361 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4223 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7071 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7071 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8508 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5649 0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9057 -3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9057 -4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 -4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 -4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 -3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2968 -4.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7252 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0674 -2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2352 -3.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5112 -1.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2403 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9401 -0.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2100 -2.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -3.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2734 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2734 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5596 4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8444 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8444 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9882 4.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8771 3.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7249 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0667 2.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2341 3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5111 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2403 0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2095 2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9006 -2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8792 -3.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6117 -1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9006 -3.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8792 -2.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6117 -2.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5954 -2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7442 -1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6151 -4.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5954 -3.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9006 -2.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1648 -3.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 1 11 1 0 5 12 1 0 6 13 1 0 10 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 15 19 1 0 6 15 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 24 1 0 1 20 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 25 35 1 0 29 36 1 0 30 37 1 0 34 38 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 39 43 1 0 30 39 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 44 48 1 0 25 44 1 0 29 49 1 0 34 50 1 0 10 51 1 0 5 52 1 0 50 52 1 0 49 51 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 53 57 1 0 18 53 1 0 56 58 1 0 58 59 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 60 64 1 0 42 64 1 0 61 65 1 0 65 66 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 23 67 1 0 70 72 1 0 73 74 1 0 74 75 1 0 73 76 1 0 73 77 1 0 77 78 1 0 73 79 1 0 59 76 1 0 72 80 1 0 75 80 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 81 85 1 0 47 85 1 0 82 86 1 0 86 87 1 0 88 89 1 0 89 90 1 0 88 91 1 0 88 92 1 0 88 93 1 0 91 66 1 0 90 87 1 0
100 94 1 1
99 94 1 1 98100 1 1 98 95 1 0 99 96 1 0 94 97 1 0
101 98 1 0
99101 1 0 97102 1 0
100103 1 0
94104 1 0
101105 1 0
95106 1 0 96 92 1 0
A 106 Glc S SKP 6 AUTODRAW FALSE ID EEL1024 FORMULA C93H168O11 EXACTMASS 1461.258666218 AVERAGEMASS 1462.3224200000002 SMILES C(C91)C(C(CCCC(CCC(C)CCCC(C)C(C2)CC(C(C3)CCC3CCOC(CO)([H])COCCC(C4)CCC4C(C5)CC(C(C)CCCC(CCC(CCCC(C)C(C6)CCC6C(C7)CC(CCOC(COCCC(C%10)CCC9%10)([H])COC(C(O)8)C(O)(CO)C(O)C8OC)C7)C)C)C5)C2)C)C)CC1 M END
