Mol:FL1C3CGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 37 0 0 0 0 0 0 0 0999 V2000 -0.5736 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6407 -0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7421 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2805 -1.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2805 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7421 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -1.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3571 0.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 -1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3571 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8274 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3288 -0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5608 -0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3671 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1521 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1521 0.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7338 1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3571 0.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7338 1.8725 0.0000 O 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 13 19 1 0 0 0 0 20 2 1 0 0 0 0 12 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 27 31 1 0 0 0 0 25 18 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 S SKP 8 ID FL1C3CGS0003 KNApSAcK_ID C00007894 NAME Okanin 4'-(6''-acetylglucoside) CAS_RN 120163-15-7 FORMULA C23H24O12 EXACTMASS 492.126776232 AVERAGEMASS 492.42946 SMILES C(C(C1O)OC(Oc(c2)c(c(c(C(=O)C=Cc(c3)cc(c(O)c3)O)c2)O)O)C(O)C1O)OC(C)=O M END