Mol:FL5FACGL0012
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.8354 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8354 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1344 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4334 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4334 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1344 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 -0.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5657 1.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2802 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2802 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5657 2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1344 -0.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 -0.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5657 3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 -1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 -3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1682 -0.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 -2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -3.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5295 -0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6154 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 -0.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -2.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4736 -3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -3.2484 0.0000 O 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 4 3 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 21 24 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 37 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 36 29 1 0 0 0 0 42 43 1 0 0 0 0 26 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 47 M SMT 1 ^ CH2OH M SBV 1 47 0.0209 0.6692 S SKP 5 ID FL5FACGL0012 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C2O)OC(C)C(C2O)O)OC(CO)C(C(O)1)O)=O)O M END
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