Mol:FL3FF8GS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.8616 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 -1.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5812 1.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6028 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 -0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 -0.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -1.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 -1.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 -2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7918 -2.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9993 -1.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2722 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 2.5258 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 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 9 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 7 17 2 0 0 0 0 18 1 1 0 0 0 0 12 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 19 1 0 0 0 0 18 33 1 0 0 0 0 21 34 1 0 0 0 0 S SKP 8 ID FL3FF8GS0010 KNApSAcK_ID C00013653 NAME Skullcapflavone I 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one CAS_RN 175991-74-9 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES OC(C1O)C(Oc(c2)c(C(O4)=CC(=O)c(c43)c(O)cc(c3OC)OC)ccc2)OC(CO)C1O M END