Mol:EEL1010
Copyright: ARM project http://www.metabolome.jp/
101103 0 0 0 0 0 0 0 0999 V2000
-13.0373 -0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4263 -0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8152 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1559 1.7498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2396 -0.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4290 0.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0161 1.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3818 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6675 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9531 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2385 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5241 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8098 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0954 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9521 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2377 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4055 -0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7711 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0567 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3423 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6278 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9136 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9189 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 -1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4901 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7755 -1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6675 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8098 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9521 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0567 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9189 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 1.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 -1.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7421 -1.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9273 -1.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0373 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4187 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8078 -1.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 -1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2320 0.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4216 -0.8986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0089 -1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3746 -2.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9459 -2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2312 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5169 -2.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8025 -1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0882 -2.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 -1.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 -2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3978 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6201 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4824 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 1.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6601 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8023 -0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -0.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0488 1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 2.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 2.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -2.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 1.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1127 -1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1127 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 -0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 -1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7938 2.1075 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9689 2.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7938 1.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7938 2.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1439 2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6104 2.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8116 -1.6868 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 40 84 1 0 41 83 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 85 89 1 0 27 86 1 0 28 89 1 0 90 91 1 0 91 92 1 0 92 93 1 0 93 94 1 0 90 94 1 0 71 90 1 0 70 93 1 0 95 96 1 0 95 97 1 0 95 98 2 0 96 99 1 0 44100 1 0
100 95 1 0
43101 1 0
A 43 Gal A 99 Ino A 101 Glc S SKP 6 AUTODRAW FALSE ID EEL1010 FORMULA C89H175O9P EXACTMASS 1419.2973737080001 AVERAGEMASS 1420.3101609999999 SMILES O(C([H])3COCC)CCC(C)CCCC(C1)CCC1C(CCCC(CCC(C)CCCC(CCCC(CCCC(CCOCC([H])(COP(OC)(O)=O)OCCC(CCCC(C2)CC(C(CCCC(CCC(C)CCCC(CCCC(C)CCCC(C)CCOC3)C)C)C)C2)C)C)C)C)C)C M END
