Mol:EEL3033
Copyright: ARM project http://www.metabolome.jp/
103103 0 0 0 0 0 0 0 0999 V2000
11.4154 1.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2404 1.5216 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.2404 2.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0654 1.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2404 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7799 1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4943 1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2088 1.1091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.6442 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1132 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6943 0.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8581 -1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8873 -0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6347 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9202 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2060 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4916 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7772 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0628 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3484 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6341 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9196 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2051 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4909 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7764 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0622 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9188 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0240 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3095 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5953 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8810 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1666 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4522 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7379 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0234 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3089 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5945 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8801 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4515 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0226 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2060 1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3484 1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4909 1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5953 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7379 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8801 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0226 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5448 1.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1261 0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1762 -0.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 1.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3692 0.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1166 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6879 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9735 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2591 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5447 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8303 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4102 -1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7914 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3629 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6485 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9341 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2197 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7908 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0764 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7811 1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6879 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8303 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2197 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 1.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 1.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8284 -2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9201 -2.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9345 -2.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2088 -1.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 2 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 9 10 1 0 10 11 1 0 9 13 1 0 9 12 1 0 14 11 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 25 24 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 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 43 42 1 0 44 43 1 0 12 30 1 0 16 45 1 0 20 46 1 0 24 47 1 0 32 48 1 0 36 49 1 0 40 50 1 0 44 51 1 0 52 53 1 0 53 54 1 0 54 55 1 0 53 57 1 0 53 56 1 0 58 55 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 72 71 1 0 75 74 1 0 76 75 1 0 77 76 1 0 78 77 1 0 79 78 1 0 80 79 1 0 81 80 1 0 82 81 1 0 83 82 1 0 84 83 1 0 85 84 1 0 86 85 1 0 87 86 1 0 88 87 1 0 56 74 1 0 60 89 1 0 64 90 1 0 68 91 1 0 72 92 1 0 76 93 1 0 80 94 1 0 84 95 1 0 88 96 1 0 44 73 1 0 29 97 1 0 73 98 1 0 88 97 1 0 72 98 1 0 52 1 1 0 28 99 1 0
100101 1 0 102101 1 0
9103 1 0
103102 1 0 A 100 Glc A 101 Glc S SKP 6 AUTODRAW FALSE ID EEL3033 FORMULA C90H182NO9P EXACTMASS 1452.355222937 AVERAGEMASS 1453.383181 SMILES CC(C1)CCCC(CCOCC([H])(OCCC(C)CCCC(C)CCCC(CCCC(CCC(C)CCCC(CCCC(CCCC(CCOCC([H])(OCCC(CCCC(C)CCCC(CCCC(C)CCC(CCCC(CC1)C)C)C)C)COCC)C)C)C)C)C)COP(OCCN)(O)=O)C M END
