Mol:EEL0170
Copyright: ARM project http://www.metabolome.jp/
116123 0 0 0 0 0 0 0 0999 V2000
10.4370 -1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8028 -2.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0884 -1.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 -2.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6595 -1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9452 -2.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 -0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 -0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 -0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 3.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 2.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 3.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 3.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0883 -0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9918 0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 3.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1007 3.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 2.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4061 1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1212 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1212 2.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 -1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4886 -2.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2037 -1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2037 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2835 3.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6497 4.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9352 3.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2210 4.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5062 3.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7922 4.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8378 2.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 2.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8018 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0878 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 -0.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6589 -0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9443 -0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9344 3.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8371 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 1.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8011 -1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 -1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5359 -0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5364 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9654 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9649 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6208 3.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6213 3.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3353 4.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0503 3.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0498 3.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2302 -0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3865 2.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5548 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9846 0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6989 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5137 -1.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3072 -1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3158 0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7934 -0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6069 0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7964 -0.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1027 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1027 1.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3889 1.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6737 1.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6737 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8175 1.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5317 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7540 2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1440 3.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4855 4.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5673 2.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3158 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2541 2.9535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8326 -3.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8113 -3.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5437 -1.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8326 -3.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8113 -2.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5437 -2.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5275 -3.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6763 -1.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5471 -4.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5275 -3.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8326 -2.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6761 -1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9863 -3.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9176 2.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1028 2.0902 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.1028 2.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1028 1.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2779 2.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4529 2.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8045 -3.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 -3.4229 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 -4.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1546 -3.4229 0.0000 O 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 6 5 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 3 17 1 0 7 18 1 0 11 19 1 0 12 20 1 0 16 21 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 22 26 1 0 12 22 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 27 31 1 0 6 30 1 0 7 27 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 34 48 1 0 38 49 1 0 42 50 1 0 43 51 1 0 47 52 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 53 57 1 0 43 53 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 58 62 1 0 37 61 1 0 38 58 1 0 42 63 1 0 47 64 1 0 16 65 1 0 11 66 1 0 64 66 1 0 63 65 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 25 67 1 0 70 72 1 0 72 73 1 0 1 74 1 0 74 75 1 0 76 77 1 0 77 79 1 0 77 78 1 0 73 78 1 0 75 77 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 56 84 1 0 81 85 1 0 85 86 1 0 87 88 1 0 88 89 1 0 87 90 1 0 87 91 1 0 87 92 1 0 32 89 1 0 90 86 1 0 99 93 1 1 98 93 1 1 97 99 1 1 97 94 1 0 98 95 1 0 93 96 1 0
100 97 1 0
98100 1 0 96101 1 0 99102 1 0 93103 1 0
100104 1 0
94105 1 0 95 91 1 0
106107 1 0 107108 2 0 107109 1 0 107110 1 0 110111 1 0
76106 1 0
112113 1 0 113114 2 0 113115 2 0 113116 1 0 105112 1 0 A 105 Glc A 111 Ino S SKP 6 AUTODRAW FALSE ID EEL0170 FORMULA C94H175O18PS EXACTMASS 1655.223675996 AVERAGEMASS 1656.424261 SMILES C(C7)(C8)C(C)CCCC(CCC(C)CCCC(C)C(C1)CC(CCCC(C)CCOCC(OCCC(C3)CCC3C(C4)CCC4C(CCCC(C)CCC(C)CCCC(C(C5)CCC5CCCC(C)CCOCC(OCCC(C6)CC(C7C8)C6)([H])COP(OC)(O)=O)C)C)([H])COC(C(CO)2O)C(C(C(O)2)OCOS(O)(=O)=O)O)C1)C M END
