Mol:FLIAAAND0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.5940 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9883 -1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7066 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7066 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9883 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4248 -1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4248 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0853 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5677 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0853 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2176 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5224 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8292 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5058 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.7435 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 2 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 3 1 0 0 0 0 8 11 1 0 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 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 6 1 0 0 0 0 1 24 1 0 0 0 0 7 25 2 0 0 0 0 22 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 S SKP 8 ID FLIAAAND0002 KNApSAcK_ID C00011150 NAME Ulexin C CAS_RN 405297-96-3 FORMULA C25H22O6 EXACTMASS 418.141638436 AVERAGEMASS 418.43858 SMILES c(c(C(C(=O)5)=COc(c45)cc(c3c4O)oc(c3)C(C)(C)O)2)c(C=1)c(cc2)OC(C1)(C)C M END