Mol:EEL1008
Copyright: ARM project http://www.metabolome.jp/
96104 0 0 0 0 0 0 0 0999 V2000 3.9587 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2444 -2.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5299 -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 3.9250 2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 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 3.9585 -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 3.9248 2.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6589 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6589 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3727 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0879 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0879 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7414 -2.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7414 -2.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4552 -3.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 -2.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 -2.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 1.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 2.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 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 -3.8353 -2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1213 -1.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 -2.0374 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 -2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8706 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 -3.8346 -2.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 -2.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5693 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2839 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9988 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9983 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6542 2.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6547 2.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 3.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0837 2.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0832 2.0528 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 -2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8079 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8079 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5217 -0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2368 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2368 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9513 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6656 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1363 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1363 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4225 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7073 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7073 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5651 0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 -3.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 -4.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6197 -4.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3348 -4.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3348 -3.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2970 -4.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7255 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0677 -2.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2355 -3.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5115 -1.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2406 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9404 -0.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2103 -2.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9502 -3.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2736 3.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2736 4.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5598 4.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8446 4.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8446 3.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9884 4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8773 3.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7252 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0670 2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2344 3.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5114 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2406 0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9406 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2098 2.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1156 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9999 -0.9690 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 92 93 1 0 88 94 1 0 91 66 1 0 90 87 1 0 93 95 1 0 95 96 1 0
A 95 Gal A 96 Glc S SKP 6 AUTODRAW FALSE ID EEL1008 FORMULA C88H160O6 EXACTMASS 1313.221492852 AVERAGEMASS 1314.2084 SMILES C(O6)C(COCC)([H])OCCC(C9)CC(C9)C(C1)CCC1C(C)CCCC(C)CCC(CCCC(C(C8)CC(C8)C(C2)CCC2CCOCC([H])(CO)OCCC(C7)CC(C7)C(C3)CCC(C(CCCC(CCC(C)CCCC(C(C4)CC(C(C5)CCC5CC6)C4)C)C)C)3)C)C M END
