Mol:EEL1016
Copyright: ARM project http://www.metabolome.jp/
101109 0 0 0 0 0 0 0 0999 V2000
4.0451 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3308 -2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6163 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 -2.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1873 -1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0114 2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2972 1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1538 2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0449 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0112 2.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 2.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1742 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1742 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 -2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5415 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2567 -2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2567 -2.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7848 1.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0707 2.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6419 2.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0348 -1.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8904 -2.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4827 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1973 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9122 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9117 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5676 2.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2821 3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9971 2.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9966 2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4394 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8942 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8942 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7518 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0497 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0497 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3359 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6207 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6207 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7643 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4784 0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9922 -3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9922 -4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 -4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 -3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3832 -4.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8117 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1539 -2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3217 -3.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5977 -1.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2965 -2.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0364 -3.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1870 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1870 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4732 4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9017 4.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7906 3.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6385 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9803 2.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1477 3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4247 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8539 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1231 2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0289 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9132 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4562 0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 0.8775 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6414 0.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8164 0.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9914 0.8775 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 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 1 11 1 0 5 12 1 0 6 13 1 0 10 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 15 19 1 0 6 15 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 24 1 0 1 20 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 25 35 1 0 29 36 1 0 30 37 1 0 34 38 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 39 43 1 0 30 39 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 44 48 1 0 25 44 1 0 29 49 1 0 34 50 1 0 10 51 1 0 5 52 1 0 50 52 1 0 49 51 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 53 57 1 0 18 53 1 0 56 58 1 0 58 59 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 60 64 1 0 42 64 1 0 61 65 1 0 65 66 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 23 67 1 0 70 72 1 0 73 74 1 0 74 75 1 0 73 76 1 0 73 77 1 0 73 78 1 0 59 76 1 0 72 79 1 0 75 79 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 47 84 1 0 81 85 1 0 85 86 1 0 87 88 1 0 88 89 1 0 87 90 1 0 87 91 1 0 91 92 1 0 87 93 1 0 90 66 1 0 89 86 1 0 92 94 1 0 94 95 1 0 96 97 1 0 97 98 2 0 97 99 1 0 97100 1 0
100101 1 0
96 77 1 0
A 94 Gal A 95 Glc A 101 Ino S SKP 6 AUTODRAW FALSE ID EEL1016 FORMULA C89H163O9P EXACTMASS 1407.203473324 AVERAGEMASS 1408.2148809999999 SMILES C(C19)CC(C(C)CCCC(CCC(C)CCCC(C)C(C2)CCC2C(C3)CC(CCOCC(OCCC(C4)CCC4C(C5)CC(C(CCCC(CCC(C)CCCC(C)C(C6)CCC6C(C7)CCC7CCOCC([H])(OCCC(C8)CCC89)COCC)C)C)C5)(COP(OC)(O)=O)[H])C3)C)C1 M END
