Mol:EEL0030
Copyright: ARM project http://www.metabolome.jp/
49 49 0 0 0 0 0 0 0 0999 V2000 -6.1138 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4387 1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6831 1.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9594 0.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4531 1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3872 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1846 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0423 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4908 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7764 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0622 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6334 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0808 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0818 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7961 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3872 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7764 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0808 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7961 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5106 0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5106 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0563 -1.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1692 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 5 1 0 1 4 1 0 6 3 1 0 7 6 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 22 21 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 4 21 1 0 8 36 1 0 12 37 1 0 16 38 1 0 20 39 1 0 23 40 1 0 27 41 1 0 31 42 1 0 35 43 1 0 20 44 1 0 35 45 1 0 44 45 1 0 1 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0
A 48 Glc A 49 Glc S SKP 6 AUTODRAW FALSE ID EEL0030 FORMULA C45H90O3 EXACTMASS 678.688996746 AVERAGEMASS 679.1943 SMILES C(O1)C(COCC)(OCCC(CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(CCCC(C)CCCC(C)CC1)C)C)[H] M END
