Mol:FL5FACNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -2.5235 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4109 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4109 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 -1.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3918 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3918 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0798 0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 -1.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9572 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9548 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9548 1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 3 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 25 26 2 0 0 0 0 13 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 14 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 15 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 S SKP 8 ID FL5FACNP0002 KNApSAcK_ID C00005087 NAME Broussoflavonol D CAS_RN 104494-30-6 FORMULA C30H32O7 EXACTMASS 504.214803378 AVERAGEMASS 504.57088 SMILES c(O)(c21)cc(O)c(C(C)(C)C=C)c1OC(c(c4)c(c(c(c4O)3)C=CC(O3)(C)C)CC=C(C)C)=C(C2=O)O M END