Mol:EEL0014
Copyright: ARM project http://www.metabolome.jp/
112112 0 0 0 0 0 0 0 0999 V2000
-14.1127 0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2034 1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4892 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7749 1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0603 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3459 1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6316 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9172 1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2026 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4882 1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0595 1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3452 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6307 1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2409 -1.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6065 -0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8922 -1.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1778 -0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4633 -1.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7490 -0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 -1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2564 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1131 -1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4892 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6316 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8922 -2.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 -2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1131 -2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2018 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3665 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7556 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0965 -1.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1799 0.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9567 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3224 -1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6081 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8938 -1.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1791 -1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4648 -1.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 -1.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3215 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6073 -1.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 -1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -1.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3456 1.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7502 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8928 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9652 -0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9967 2.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7687 2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6793 -1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4829 0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9483 -2.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9483 -1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7355 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2413 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4657 -1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5813 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9713 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3128 0.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3946 -0.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0813 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5566 -2.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8818 1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8512 -0.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0814 -0.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7383 -2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6226 -2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7735 1.1258 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7735 1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5985 1.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7735 0.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8502 1.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4313 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4313 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2563 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4313 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2563 -0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4313 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2563 -1.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4313 1.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2563 1.9530 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.2563 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2563 2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0813 1.9530 0.0000 C 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 7 6 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 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 3 27 1 0 7 28 1 0 11 29 1 0 15 30 1 0 18 31 1 0 22 32 1 0 26 33 1 0 15 34 1 0 26 35 1 0 36 37 1 0 37 38 1 0 36 39 1 0 40 38 1 0 41 40 1 0 42 41 1 0 43 42 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 48 47 1 0 49 48 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 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 39 55 1 0 42 66 1 0 46 67 1 0 50 68 1 0 54 69 1 0 57 70 1 0 61 71 1 0 65 72 1 0 54 73 1 0 65 74 1 0 34 74 1 0 35 73 1 0 75 76 1 0 21 76 1 0 22 77 1 0 79 80 1 0 61 78 1 0 60 80 1 0 76 81 1 0 77 82 1 0 82 81 1 0 79 83 1 0 83 78 1 0 80 84 1 0 85 86 1 0 86 87 1 0 85 88 1 0 16 88 1 0 1 87 1 0 85 89 1 0 89 90 1 0 36 91 1 0 36 92 1 0 85 93 1 0 90 94 1 0 94 95 1 0 96 97 2 0 96 98 1 0 96 99 1 0 96100 1 0 91100 1 0
101102 1 0 102103 1 0 102104 1 0 104105 1 0 104106 1 0 106107 1 0 101108 1 0 108109 1 0 109110 1 0 109111 1 0 109112 1 0
98101 1 0
M CHG 1 109 1 A 94 Gal A 95 Glc S SKP 6 AUTODRAW FALSE ID EEL0014 FORMULA C96H195NO12P EXACTMASS 1585.441692219 AVERAGEMASS 1586.548801 SMILES C(C1)C(CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(CCOCC(COCC)(OCCC(CCCC(C)CCCC(CCCC(CCC(C)CCCC(C)CCCC(C)CCCC(CCOCC([H])(COP(OC(C(O)C(CO)O)C[N+1](C)(C)C)(O)=O)O1)C)C)C)C)[H])C)C M END
