Mol:EEL0028
Copyright: ARM project http://www.metabolome.jp/
56 56 0 0 0 0 0 0 0 0999 V2000 -3.9572 -1.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1025 0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4273 2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6717 2.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4417 1.7903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8045 2.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0899 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6616 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5182 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3394 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1969 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1937 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4794 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7651 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3365 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3786 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0932 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8075 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5182 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3394 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1969 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7651 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8075 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4888 2.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 -1.8607 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 -1.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 -2.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3072 -1.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 -2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 -1.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1638 -2.2732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8651 -1.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0401 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 8 5 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 22 21 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 37 36 1 0 6 23 1 0 10 38 1 0 14 39 1 0 18 40 1 0 22 41 1 0 25 42 1 0 29 43 1 0 33 44 1 0 37 45 1 0 22 46 1 0 37 47 1 0 46 47 1 0 1 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 2 55 1 0 55 56 1 0 56 1 1 0
A 56 Glc S SKP 6 AUTODRAW FALSE ID EEL0028 FORMULA C46H94NO7P EXACTMASS 803.676790877 AVERAGEMASS 804.214861 SMILES C(C(C)1)CCC(CCCC(C)CCCC(C)CCOCC(COCOP(O)(=O)OCCN)([H])OCCC(C)CCCC(C)CCCC(C)CCCC(C)CC1)C M END
