Mol:EEL0020
Copyright: ARM project http://www.metabolome.jp/
53 52 0 0 0 0 0 0 0 0999 V2000 -7.5343 -0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4797 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3255 -0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1034 0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5278 -0.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 0.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2412 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4741 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1886 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 -0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9416 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0847 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7992 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9426 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4751 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2451 -0.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3593 -0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9426 -0.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7718 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 5 6 1 0 4 8 1 0 4 7 1 0 9 6 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 22 21 1 0 23 22 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 7 24 1 0 11 39 1 0 15 40 1 0 19 41 1 0 23 42 1 0 26 43 1 0 30 44 1 0 34 45 1 0 38 46 1 0 23 47 1 0 38 48 1 0 2 49 1 0 1 2 1 0 3 50 1 0 2 50 1 0 1 51 1 0 51 52 2 0 51 53 1 0
A 2 Gal A 49 Glc S SKP 6 ID EEL0020 FORMULA C47H94O5 EXACTMASS 738.7101261180001 AVERAGEMASS 739.2462599999999 SMILES C(CCCC(CCCC(CCCC(C)CCOCC(COC(C)OC(C)=O)(OCCC(C)CCCC(CCCC(CCCC(C)C)C)C)[H])C)C)(C)C AUTODRAW FALSE M END
