Mol:FL1A3CGS0009
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -5.7626 1.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 -2.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 -1.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 -1.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 -2.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0414 -1.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -1.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2457 -1.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 -1.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -1.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8835 -2.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -2.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1211 -1.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8835 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -1.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7554 -3.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 -0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9118 -0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 -1.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 -2.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -2.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5535 -1.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3222 -2.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9126 -1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -0.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6861 2.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5606 2.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1165 1.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1412 0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7109 1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7748 2.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3471 3.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 2.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -0.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 0.8880 0.0000 C 0 0 0 0 0 0 0 0 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 7 2 0 0 0 0 7 2 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 5 11 1 0 0 0 0 9 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 8 20 2 0 0 0 0 17 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 11 1 0 0 0 0 22 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 23 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 31 36 1 0 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 1 1 0 0 0 0 1 41 1 0 0 0 0 42 43 1 0 0 0 0 4 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 OCH3 M SBV 1 47 0.0000 -0.6687 S SKP 5 ID FL1A3CGS0009 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES C(O)C(C(O)5)OC(C(O)C(O)5)OC(C(C)1)C(O)C(C(Oc(c(OC)2)ccc(c(=O)3)c(oc3=Cc(c4)ccc(O)c(O)4)2)O1)O M END
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