Mol:FL4DACNC0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.8988 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -1.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -1.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -1.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 0.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 1.6733 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 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 8 19 1 1 0 0 0 16 20 1 0 0 0 0 6 21 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 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 17 30 1 0 0 0 0 S SKP 8 ID FL4DACNC0001 KNApSAcK_ID C00008659 NAME Gericudranin C CAS_RN 172617-93-5 FORMULA C22H18O8 EXACTMASS 410.100167552 AVERAGEMASS 410.37352000000004 SMILES c(c4)c(ccc4O)Cc(c1O)c(cc(O2)c1C(C(O)C(c(c3)ccc(c3O)O)2)=O)O M END
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