Mol:FL1CAAGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 45 0 0 0 0 0 0 0 0999 V2000 0.1093 1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1093 0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 0.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8749 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9634 0.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9634 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 -0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8864 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2563 -0.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 -0.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 -1.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 -1.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4693 0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9885 0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5078 0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5078 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9885 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4693 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 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 1 1 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 17 13 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 5 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 26 30 1 0 0 0 0 24 18 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 S SKP 8 ID FL1CAAGS0002 KNApSAcK_ID C00007879 NAME Chalconaringenin 2'-(6''-p-coumarylglucoside) CAS_RN 27960-53-8 FORMULA C30H28O12 EXACTMASS 580.15807636 AVERAGEMASS 580.53612 SMILES OC(C3O)C(COC(C=Cc(c4)ccc(O)c4)=O)OC(C3O)Oc(c1C(=O)C=Cc(c2)ccc(O)c2)cc(O)cc1O M END
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