Mol:FL3FACCS0020
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -1.3062 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3062 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5517 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5517 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -0.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -2.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0204 -0.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 1.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8481 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2442 0.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 1.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 2.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 2.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 0.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -2.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 -0.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 -0.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9735 -1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4968 -2.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8103 -2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 -1.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2298 -1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6034 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1484 -2.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 -2.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 -0.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7684 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 -1.9216 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 3 4 1 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 2 1 0 0 0 0 26 38 1 0 0 0 0 25 39 1 0 0 0 0 40 41 1 0 0 0 0 34 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 0.5386 -0.5386 S SKP 5 ID FL3FACCS0020 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES C(C(C1O)OC(c(c4O)c(c(c(c4C(O5)C(O)C(O)C(O)C5)2)C(C=C(c(c3)ccc(O)c3O)O2)=O)O)C(C1O)O)O M END
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