Mol:FL631ANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.4081 0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4081 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 0.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 -0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4033 -0.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4033 -1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9463 -0.4731 0.0000 C 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 8 17 1 1 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 S SKP 8 ID FL631ANI0001 KNApSAcK_ID C00008911 NAME Broussinol CAS_RN 90902-19-5 FORMULA C20H22O4 EXACTMASS 326.151809192 AVERAGEMASS 326.38628 SMILES c(O)(c3)ccc(c31)CC(C(c(c2)cc(c(O)c2)CC=C(C)C)O1)O M END