Mol:FL5FACNP0003
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 1 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 FL5FACNP0003 KNApSAcK_ID C00005088 NAME Broussoflavonol E;2-[3,4-Dihydro-8-hydroxy-2,2-dimethyl-5-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-8-(1,1-dimethyl-2-propenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one CAS_RN 289621-75-6 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES c(O)(c41)cc(O)c(c1OC(=C(C4=O)O)c(c3)c(CC=C(C)C)c(C2)c(c(O)3)OC(C)(C)C2)C(C)(C)C=C M END