Mol:EEL1001
Copyright: ARM project http://www.metabolome.jp/
96 97 0 0 0 0 0 0 0 0999 V2000 -13.4170 -1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7409 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8395 1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7691 2.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5403 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6292 1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9950 2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2808 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5664 2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8517 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1373 2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4229 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7085 2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9938 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2794 2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8024 -1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1681 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4537 -1.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7393 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0247 -1.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3104 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 -1.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 -1.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 -1.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 -1.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -1.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2808 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4229 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4537 -2.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 -2.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -2.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 -1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7061 -3.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7514 -3.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4170 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8061 0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1952 -0.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5361 -1.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 0.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8090 -0.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3962 -1.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0476 -1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -1.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6186 -1.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -1.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1897 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -1.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -1.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 -1.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 -1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 -1.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4741 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7851 0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1509 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4364 0.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7221 0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0074 0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2932 0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2984 2.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5841 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8696 2.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 1.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 2.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0475 -0.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1895 -0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3319 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4739 -0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4362 1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 3.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 3.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 1.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1216 1.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5096 -2.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5096 -1.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2966 -1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4613 0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4613 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8026 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0269 -1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9683 0.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6893 -3.0392 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 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 22 21 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 5 21 1 0 8 32 1 0 12 33 1 0 16 34 1 0 20 35 1 0 23 36 1 0 27 37 1 0 31 38 1 0 20 39 1 0 31 40 1 0 1 41 1 0 41 42 1 0 43 44 1 0 44 45 1 0 45 46 1 0 44 48 1 0 44 47 1 0 49 46 1 0 50 49 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 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 71 70 1 0 72 71 1 0 73 72 1 0 74 73 1 0 47 64 1 0 51 75 1 0 55 76 1 0 59 77 1 0 63 78 1 0 66 79 1 0 70 80 1 0 74 81 1 0 63 82 1 0 74 83 1 0 43 84 1 0 39 83 1 0 40 82 1 0 85 86 1 0 26 86 1 0 27 87 1 0 88 89 1 0 89 90 1 0 90 91 1 0 91 92 1 0 88 92 1 0 70 88 1 0 69 91 1 0 86 93 1 0 87 94 1 0 94 93 1 0 2 95 1 0 42 96 1 0
A 42 Gal A 96 Glc S SKP 6 AUTODRAW FALSE ID EEL1001 FORMULA C88H174O6 EXACTMASS 1327.3310433000001 AVERAGEMASS 1328.3195600000001 SMILES C(C(C2)(OCCC(C)CCCC(C1)CC(C(CCCC(CCC(CCCC(CCCC(C)CCCC(CCOCC(COCC)(OCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(C)CCCC(C)CCO2)C)C)C)C)C)C)[H])C)C)C)C)C)C1)[H])O M END
