Mol:FL3F1LNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 37 0 0 0 0 0 0 0 0999 V2000 -3.0489 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0489 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -1.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 -1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 -1.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 1.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6048 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 1.9228 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 1 18 1 0 0 0 0 19 15 1 0 0 0 0 8 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 23 24 1 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 17 30 1 0 0 0 0 6 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 S SKP 8 ID FL3F1LNI0002 KNApSAcK_ID C00004023 NAME Rubraflavone B CAS_RN 54835-68-6 FORMULA C30H34O5 EXACTMASS 474.240624198 AVERAGEMASS 474.58796000000007 SMILES C(O1)(c(c3O)ccc(O)c3)=C(CC=C(C)CCC=C(C)C)C(=O)c(c2)c1c(c(O)c2)CC=C(C)C M END