Mol:FL3FALNI0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -2.2160 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1216 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 -1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3282 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8831 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8831 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 -1.4544 0.0000 O 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 2 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 3 36 1 0 0 0 0 S SKP 8 ID FL3FALNI0011 KNApSAcK_ID C00004037 NAME Rubraflavone C CAS_RN 54835-67-5 FORMULA C30H34O6 EXACTMASS 490.23553882 AVERAGEMASS 490.58736000000005 SMILES C(c32)(C(=C(Oc2cc(O)c(c(O)3)CC=C(C)C)c(c1)c(O)cc(c1)O)CC=C(C)CCC=C(C)C)=O M END