Mol:EEL0038
Copyright: ARM project http://www.metabolome.jp/
54 53 0 0 0 0 0 0 0 0999 V2000 -6.3525 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9336 0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4027 0.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9837 1.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1477 -0.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 0.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9242 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1703 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4018 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2594 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9739 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 2.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 2.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 2.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 2.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7921 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4027 -0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5218 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -1.8765 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 -1.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7798 -1.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 -0.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -2.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9394 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 -1.8776 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 50 47 1 0 51 48 2 0 52 48 2 0 48 54 1 0 47 54 1 0 50 53 1 0 1 53 1 0
A 47 Man A 50 Glc S SKP 6 ID EEL0038 FORMULA C45H92O7S EXACTMASS 776.6563759879999 AVERAGEMASS 777.2737800000001 SMILES C(COC(COCCC(CCCC(C)CCCC(C)CCCC(C)C)C)([H])COCCOS(O)(=O)=O)C(C)CCCC(C)CCCC(CCCC(C)C)C AUTODRAW FALSE M END
