Mol:EEL1051
Copyright: ARM project http://www.metabolome.jp/
100103 0 0 0 0 0 0 0 0999 V2000
-13.0306 -0.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4196 0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8085 1.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1491 1.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2329 0.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4223 0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0094 1.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3751 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6608 1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9463 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2318 1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5175 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0887 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3741 1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6597 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3988 -0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7644 -0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0499 -0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3356 -0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6212 -0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9069 -0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 -1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1979 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 -1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7687 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 -1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6608 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0499 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 -2.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 -2.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7354 -1.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9206 -1.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0306 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4666 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3195 -2.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5365 -2.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2387 0.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3967 -2.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -3.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0481 -2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3337 -3.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6192 -2.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9049 -3.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 -1.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2372 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 -1.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 -1.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4044 0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7701 0.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0556 0.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3413 0.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6269 0.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9126 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 2.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7745 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 2.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0480 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9514 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0554 1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 3.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3794 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3457 1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1059 -1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1059 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3922 -0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3654 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0807 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0807 1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7343 -1.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7343 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 -3.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1632 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1632 -1.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1397 -1.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3110 2.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 2.3230 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 3.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 1.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6712 2.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 2.3230 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 48 1 0 49 47 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 48 60 1 0 51 71 1 0 55 72 1 0 59 73 1 0 62 74 1 0 66 75 1 0 70 76 1 0 59 77 1 0 70 78 1 0 40 78 1 0 41 77 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 27 80 1 0 28 83 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 66 84 1 0 65 87 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 89 93 1 0 54 92 1 0 55 89 1 0 45 94 1 0 95 96 1 0 96 97 2 0 96 98 1 0 96 99 1 0 99100 1 0 95 44 1 0
A 43 Glc A 100 Ino S SKP 6 AUTODRAW FALSE ID EEL1051 FORMULA C88H171O9P EXACTMASS 1403.26607358 AVERAGEMASS 1404.267701 SMILES O(C4)C(COCCC(CCCC(C)CCCC(C)CCCC(C)CCC(CCCC(C(C1)CCC1CCCC(CCOC([H])(COCCC(CCCC(C2)CCC2C(C)CCCC(CCC(C)CCCC(C(C3)CCC3CCCC(C)C4)C)C)C)COP(OC)(O)=O)C)C)C)C)(COC)[H] M END
