Mol:FL4DA9GS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.5038 0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5126 -0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7998 -0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0843 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 0.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3712 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 -0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 1.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 -1.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 1.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -0.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 0.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7998 -1.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2194 -1.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -2.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -2.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 -1.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 -1.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 -3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 -2.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 -2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 1 0 0 0 11 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 8 19 1 6 0 0 0 15 20 1 0 0 0 0 4 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 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 26 29 1 0 0 0 0 25 30 1 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 27 19 1 0 0 0 0 S SKP 5 ID FL4DA9GS0004 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(O)cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1 M END
</pre>