Mol:FL5FABGS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.8770 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4749 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4749 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 0.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9271 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9271 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 0.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -1.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3424 0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3424 2.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 0.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6396 -0.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -1.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 -2.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9087 -1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 -0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6193 -1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 -1.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 -3.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9689 -3.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5061 -2.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1093 1.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3175 0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 1.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3175 2.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1093 2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8581 2.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8297 3.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3175 3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 2.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 2.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 1.6425 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 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 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 19 1 0 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 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 31 40 1 0 0 0 0 32 18 1 0 0 0 0 41 42 1 0 0 0 0 15 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 OCH3 M SBV 1 46 -0.7988 -0.4612 S SKP 5 ID FL5FABGS0007 FORMULA C28H32O14 EXACTMASS 592.179205732 AVERAGEMASS 592.54528 SMILES OC(C1Oc(c2)cc(c(C(=O)3)c2OC(c(c5)ccc(c5)OC)=C3OC(C4O)OC(C)C(C4O)O)O)C(C(C(O1)C)O)O M END
</pre>