Mol:FL5FAAGL0075
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -4.9811 3.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9811 2.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2666 1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 2.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 3.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2666 3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 2.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 3.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 3.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 1.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 3.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 3.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 3.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 4.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 5.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 4.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2666 1.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 5.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6168 3.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 1.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 -3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5214 -4.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9017 -3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 -4.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 -4.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5882 -3.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3357 -3.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7094 -4.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3357 -5.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5882 -5.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4565 -4.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 0.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 -0.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 -1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 -1.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4994 -0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 1.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 -1.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 -2.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1045 -2.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4983 -3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3748 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 -0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4961 -0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8699 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4961 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6168 0.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9296 -0.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5797 -2.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6621 -3.2809 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 20 1 1 0 0 0 0 21 8 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 34 21 1 0 0 0 0 22 43 1 0 0 0 0 43 42 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 44 53 1 0 0 0 0 53 54 2 0 0 0 0 40 53 1 0 0 0 0 4 3 1 0 0 0 0 55 56 1 0 0 0 0 28 55 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 55 56 M SBL 1 1 61 M SMT 1 ^OCH3 M SBV 1 61 0.2440 -1.0472 S SKP 5 ID FL5FAAGL0075 FORMULA C40H34O16 EXACTMASS 770.18468504 AVERAGEMASS 770.68836 SMILES c(c1O)cc(C=CC(OC(C5O)C(C(OC5COC(C=Cc(c6)cc(OC)c(O)c6)=O)OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c2c(cc(O)3)O)O)=O)cc1 M END
</pre>