Mol:EEL1009
Copyright: ARM project http://www.metabolome.jp/
101102 0 0 0 0 0 0 0 0999 V2000
-13.4086 -1.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7325 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8311 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7608 1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8345 -1.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8177 -0.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6209 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9867 2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2725 1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5581 2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8435 1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1291 2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4147 1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7003 2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9857 1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2714 2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5571 1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8427 2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1284 1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4139 2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6993 1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7941 -1.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1598 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4454 -1.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7310 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0165 -1.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3022 -1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 -2.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 -1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 -2.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 -1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6663 -2.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2725 0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4147 0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5571 0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6993 0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4454 -2.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 -2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6663 -2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 2.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 -1.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8833 -2.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0937 -3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4086 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8135 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2026 -1.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5435 -1.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6269 0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8165 -0.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4037 -1.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7694 -2.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0551 -1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3408 -2.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6261 -1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9118 -2.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1973 -1.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 -2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 -1.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0541 -2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3398 -1.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6254 -2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -1.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 -2.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7926 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1584 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4439 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7296 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3008 0.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 1.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8774 1.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 1.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0550 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1971 -0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 -0.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4818 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4437 1.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 2.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 2.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7677 -2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1290 2.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 -2.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 -1.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2886 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0399 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0399 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7536 0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4689 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4689 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7944 -1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0188 -1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 2.2147 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 3.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 1.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4892 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6642 2.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9779 -3.0397 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 6 1 0 2 5 1 0 7 4 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 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 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 5 22 1 0 9 33 1 0 13 34 1 0 17 35 1 0 21 36 1 0 24 37 1 0 28 38 1 0 32 39 1 0 21 40 1 0 32 41 1 0 1 42 1 0 42 43 1 0 44 45 1 0 45 46 1 0 46 47 1 0 45 49 1 0 45 48 1 0 50 47 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 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 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 72 71 1 0 73 72 1 0 74 73 1 0 75 74 1 0 48 65 1 0 52 76 1 0 56 77 1 0 60 78 1 0 64 79 1 0 67 80 1 0 71 81 1 0 75 82 1 0 64 83 1 0 75 84 1 0 44 85 1 0 40 84 1 0 41 83 1 0 86 87 1 0 27 87 1 0 28 88 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 89 93 1 0 71 89 1 0 70 92 1 0 87 94 1 0 88 95 1 0 95 94 1 0 85 96 1 0 96 97 2 0 96 98 1 0 96 99 1 0 99100 1 0 43101 1 0
A 43 Gal A 100 Ino A 101 Glc S SKP 6 AUTODRAW FALSE ID EEL1009 FORMULA C89H177O9P EXACTMASS 1421.313023772 AVERAGEMASS 1422.3260409999998 SMILES CC(C1)CCCC(CCCC(CCCC(CCOC(COCC)([H])COCCC(CCCC(C)CCCC(CCCC(C)CCC(C)CCCC(C(C2)CC(C2)CCCC(CCOC([H])(COCCC(CCCC(CCCC(C)CCCC(C1)C)C)C)COP(O)(=O)OC)C)C)C)C)C)C)C M END
