Mol:FL5FECGS0047
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 50 54 0 0 0 0 0 0 0 0999 V2000 -1.0444 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 1.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 1.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 1.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 2.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -0.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9491 2.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7539 1.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 -0.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -1.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9489 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6975 -0.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5407 -0.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 -2.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0431 -2.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 -1.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 1.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7802 1.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 2.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 3.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6473 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6308 2.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 1.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 3.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 2.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9491 2.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 -3.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4707 -3.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -3.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6494 -0.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7317 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 20 33 1 0 0 0 0 16 42 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 40 43 1 0 0 0 0 30 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 49 50 1 0 0 0 0 2 49 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 49 50 M SBL 1 1 54 M SMT 1 ^OCH3 M SBV 1 54 0.6050 0.3493 S SKP 5 ID FL5FECGS0047 FORMULA C32H36O18 EXACTMASS 708.190164348 AVERAGEMASS 708.61744 SMILES Oc(c5)c(cc(c5)C(=C1OC(O4)C(C(O)C(OC(C)=O)C4C)O)Oc(c2)c(c(O)c(OC)c2OC(C3O)OC(C)C(C3OC(C)=O)O)C1=O)O M END
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