Mol:EEL1012
Copyright: ARM project http://www.metabolome.jp/
101105 0 0 0 0 0 0 0 0999 V2000
13.0022 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3865 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2394 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4563 -3.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1584 0.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 -2.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 -3.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9678 -2.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 -3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5389 -2.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8246 -3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8712 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1568 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 -2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3241 0.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6898 0.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9753 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5466 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8323 0.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1232 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9677 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9752 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8373 2.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2852 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 -3.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0829 -2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0829 -2.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0594 -1.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0022 0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4742 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3279 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5454 3.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2454 -0.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4054 2.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7715 3.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0568 2.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3426 3.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6278 2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9138 3.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2451 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5304 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4108 -0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7768 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0619 -0.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3478 -0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6331 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9191 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2092 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4945 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0560 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9585 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0612 -1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9225 -2.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0648 -2.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7063 -0.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6574 -1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6579 -0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0869 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0864 -1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7423 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7428 2.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4568 3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1718 2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1713 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1473 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 2.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2989 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2938 -1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0915 2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2767 2.1542 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2767 2.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2767 1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4517 2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1780 -1.2436 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 5 1 0 6 4 1 0 7 6 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 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 5 17 1 0 8 28 1 0 12 29 1 0 16 30 1 0 19 31 1 0 23 32 1 0 27 33 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 34 38 1 0 23 34 1 0 22 37 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 39 43 1 0 11 42 1 0 12 39 1 0 2 44 1 0 45 46 1 0 46 47 1 0 47 48 1 0 46 49 1 0 50 48 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 49 61 1 0 52 72 1 0 56 73 1 0 60 74 1 0 63 75 1 0 67 76 1 0 71 77 1 0 45 78 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 67 79 1 0 66 82 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 55 87 1 0 56 84 1 0 46 89 1 0 60 90 1 0 71 91 1 0 27 92 1 0 16 93 1 0 91 93 1 0 90 92 1 0 78 94 1 0 95 96 1 0 96 97 2 0 96 98 1 0 96 99 1 0 99100 1 0 95 1 1 0 94101 1 0
A 94 Gal A 100 Ino A 101 Glc S SKP 6 AUTODRAW FALSE ID EEL1012 FORMULA C89H171O9P EXACTMASS 1415.26607358 AVERAGEMASS 1416.2784009999998 SMILES C(C54)CCC(C)CCOC([H])(COCC)COCCC(C)CCCC(C1)CC(C(C)CCCC(C)CCC(C)CCCC(C(C2)CCC(CCCC(CCOC(COCCC(C)CCCC(C3)CCC3C(CCCC(CCC(C)CCCC(C)C(C5)CC4)C)C)([H])COP(O)(=O)OC)C)2)C)C1 M END
