Mol:EEL3013
Copyright: ARM project http://www.metabolome.jp/
50 49 0 0 0 0 0 0 0 0999 V2000 -9.6190 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3669 -1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7378 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0379 -0.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4268 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7675 1.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8513 -0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6278 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7218 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8649 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5793 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0469 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7611 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1901 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9045 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0469 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9045 -1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6190 -0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1489 -1.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 5 6 1 0 6 7 1 0 5 9 1 0 5 8 1 0 10 7 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 24 23 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 39 38 1 0 8 25 1 0 12 40 1 0 16 41 1 0 20 42 1 0 24 43 1 0 27 44 1 0 31 45 1 0 35 46 1 0 39 47 1 0 24 48 1 0 39 49 1 0 2 3 1 0 1 2 1 0 50 4 1 0 3 50 1 0
A 1 Gal A 2 Man A 3 Glc S SKP 6 AUTODRAW FALSE ID EEL3013 FORMULA C46H94O3 EXACTMASS 694.720296874 AVERAGEMASS 695.23676 SMILES C(CCCC(CCCC(C)CCCC(CCOCC(COCCC)(OCCC(CCCC(C)CCCC(CCCC(C)C)C)C)[H])C)C)(C)C M END
