Mol:FLIDHXNF0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 29 0 0 0 0 0 0 0 0999 V2000 -2.0196 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 -0.0046 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 1 2 0 0 0 0 4 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 5 1 0 0 0 0 8 11 1 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 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 8 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 2 1 0 0 0 0 S SKP 8 ID FLIDHXNF0001 KNApSAcK_ID C00009682 NAME Neobanol CAS_RN 61419-04-3 FORMULA C18H12O6 EXACTMASS 324.063388116 AVERAGEMASS 324.28427999999997 SMILES c(c56)c(O1)c(cc5OCO6)C(C4)(C1c(c3)c(O4)cc(c32)occ2)O M END
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