Mol:EEL0042
Copyright: ARM project http://www.metabolome.jp/
59 58 0 0 0 0 0 0 0 0999 V2000 -6.3525 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9336 1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4027 2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9837 3.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1477 1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 2.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9243 3.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 3.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 3.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 3.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 3.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 3.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 3.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 3.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1703 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4018 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2594 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 4.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 4.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 4.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 4.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7921 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4027 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3057 -0.1221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 0.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3115 -3.5415 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3115 -4.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5649 -1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 -0.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3056 -0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 -3.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2499 -3.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7246 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 -0.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 -2.6555 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 49 48 1 0 51 50 1 0 52 47 1 0 53 48 2 0 54 48 2 0 55 50 2 0 56 50 2 0 48 58 1 0 47 58 1 0 47 59 1 0 50 59 1 0 52 57 1 0 1 57 1 0
A 47 Man A 52 Glc S SKP 6 ID EEL0042 FORMULA C45H92O11S2 EXACTMASS 872.608105166 AVERAGEMASS 873.3373800000002 SMILES C(OCC(OS(O)(=O)=O)OS(O)(=O)=O)C(COCCC(C)CCCC(CCCC(C)CCCC(C)C)C)([H])OCCC(CCCC(CCCC(CCCC(C)C)C)C)C AUTODRAW FALSE M END
