Mol:EEL3020
Copyright: ARM project http://www.metabolome.jp/
49 48 0 0 0 0 0 0 0 0999 V2000 -8.0731 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1553 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1155 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5845 -0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3141 1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3979 -0.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 0.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1744 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5399 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1112 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3967 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3189 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3574 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0718 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3585 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3585 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4623 1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0731 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0093 -0.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 5 6 1 0 4 8 1 0 4 7 1 0 9 6 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 23 22 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 38 37 1 0 7 24 1 0 11 39 1 0 15 40 1 0 19 41 1 0 23 42 1 0 26 43 1 0 30 44 1 0 34 45 1 0 38 46 1 0 23 47 1 0 38 48 1 0 1 2 1 0 2 49 1 0 49 3 1 0
A 1 Gal A 2 Gal S SKP 6 AUTODRAW FALSE ID EEL3020 FORMULA C45H92O3 EXACTMASS 680.70464681 AVERAGEMASS 681.21018 SMILES C(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)C(COCC)(OCCC(CCCC(C)CCCC(CCCC(C)C)C)C)[H] M END
