Mol:EEL0043
Copyright: ARM project http://www.metabolome.jp/
64 63 0 0 0 0 0 0 0 0999 V2000 -7.7812 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3623 1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8314 2.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4124 3.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5764 1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6056 2.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6385 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9241 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2098 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0666 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7909 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9342 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 3.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7423 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1704 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8304 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9241 4.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0666 4.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7909 4.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 4.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7358 -1.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7345 -0.1221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 0.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 -3.5414 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 -4.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9937 -1.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 -0.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 -0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 -3.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6787 -3.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1533 -1.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 -0.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 -2.6554 0.0000 O 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 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 5 22 1 0 9 37 1 0 13 38 1 0 17 39 1 0 21 40 1 0 24 41 1 0 28 42 1 0 32 43 1 0 36 44 1 0 21 45 1 0 36 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 54 53 1 0 56 55 1 0 57 52 1 0 58 53 2 0 59 53 2 0 60 55 2 0 61 55 2 0 53 63 1 0 52 63 1 0 52 64 1 0 55 64 1 0 57 62 1 0 1 62 1 0
A 52 Man A 57 Glc S SKP 6 AUTODRAW FALSE ID EEL0043 FORMULA C50H102O11S2 EXACTMASS 942.686355486 AVERAGEMASS 943.47028 SMILES C(COCC(OS(O)(=O)=O)OS(O)(=O)=O)(OCCC(C)CCCC(C)CCCC(CCCC(CCCC(C)C)C)C)([H])COCCC(C)CCCC(C)CCCC(CCCC(C)C)C M END
